Full Regression: kokkos — 2026-08-14T11-24-03Z_8db723da93

Configuration: 2 MPI tasks with 2 OpenMP threads via the KOKKOS package

866

Tests

171

Passed

232

Failed

316

Errors

Timeouts

135

Skipped

12 test(s) hit the time limit of the test harness (180 s limit) and are counted apart from the errors: whether they expire depends on the limit in force and on the load of the machine.

title	Full Regression Test / KOKKOS/OpenMP
sha	8db723da93df67c76e0ad9a49e3d30da9ee5f15c
branch	preview
version	patch_4Jul2026-1205-g8db723da93
generated	2026-08-14T11:24:03Z
source_url	https://download.lammps.org/coverage/kokkos.json
operating_system	OS: Linux "Fedora Linux 44 (Forty Four)" 7.1.4-204.fc44.x86_64 x86_64
git_info	Git info (preview / patch_4Jul2026-1205-g8db723da93)
compiler	Compiler: Clang C++ Clang 22.1.8 (Fedora 22.1.8-4.fc44) with OpenMP 5.1
compile_flags	-DLAMMPS_GZIP -DLAMMPS_PNG -DLAMMPS_JPEG -DLAMMPS_FFMPEG -DLAMMPS_CURL -DLAMMPS_SMALLBIG
config_file	config_kokkos_openmp.yaml
lmp_binary	/home/akohlmey/compile/lammps-analyze/build-regression/lmp

Changes vs 2026-08-14T08-22-58Z_4c4818f051

no changes vs previous run

Needs a fix in the examples tree (175)

Problems with the input scripts rather than with the code. These stay until somebody edits the example, and they are reported independently of the verdict, so a test that passes can carry one.

production sized run (28)

ELASTIC_T/BORN_MATRIX/Argon/Numdiff/in.ljcov
the run needs 80 s: a production sized run that should be shortened in the repository
HEAT/in.lj.ehex
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
HEAT/in.lj.hex
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
HEAT/in.spce.ehex
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
HEAT/in.spce.hex
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
PACKAGES/basal/in.basal
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost ...
PACKAGES/drude/toluene/in.toluene.lang
the run needs 56 s: a production sized run that should be shortened in the repository
PACKAGES/drude/toluene/in.toluene.nh
the run needs 56 s: a production sized run that should be shortened in the repository
PACKAGES/electrode/au-aq/in.ffield
the run needs 68 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost is in the setup); no reference ...
PACKAGES/electrode/au-aq/in.tf
the run needs 69 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost is in the setup); no reference ...
PACKAGES/electrode/piston/in.piston
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/confined_colloid/in.confined_colloids
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/dragforce/in.dragtest
the run needs 122 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/microrheology/in.microrheology
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/pit_geometry/in.pits
the run needs 92 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/planewall/in.planewall
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/polymer/in.polymer
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/translocation/in.translocation
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
PACKAGES/mbx/na+_slab/in.na+_slab
the run needs 72 s: a production sized run that should be shortened in the repository
PACKAGES/orient_eco/in.orient_eco
the run needs 47 s: a production sized run that should be shortened in the repository
PACKAGES/phonon/2-1D-diatomic/in.Ana
the run needs 106 s: a production sized run that should be shortened in the repository
PACKAGES/smtbq/in.smtbq.Al2O3
the run needs 94 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, .. ...
PACKAGES/smtbq/in.smtbq.TiO2
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
hyper/in.hyper.global
the run needs 67 s: a production sized run that should be shortened in the repository
mc/in.mixed
the run needs 51 s: a production sized run that should be shortened in the repository
mc/in.pure
the run needs 54 s: a production sized run that should be shortened in the repository
rdf-adf/in.spce
the run needs 45 s: a production sized run that should be shortened in the repository
streitz/in.ctip
the run needs 104 s: a production sized run that should be shortened in the repository

reference log file matches no input (38)

PACKAGES/electrode/graph-il/in.conp
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.conq
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.conq2
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.etypes
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.ffield
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.ramp
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.thermo
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/madelung/in.cg
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/electrode/madelung/in.ewald-ew3dc
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/electrode/madelung/in.ewald-ffield
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/electrode/madelung/in.pppm-ew3dc
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/electrode/madelung/in.pppm-ffield
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/fep/CC-CO/fep01/in.fep01.lmp
no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CC-CO/fep10/in.fep10.lmp
no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4-CF4/bar01/in.bar01.lmp
no reference log file matches this input, while log.bar01.lmp.smoke.1, log.bar01.lmp.smoke.2, log.bar01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4-CF4/bar10/in.bar10.lmp
no reference log file matches this input, while log.bar10.lmp.smoke.1, log.bar10.lmp.smoke.2, log.bar10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4-CF4/fep01/in.fep01.lmp
no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4-CF4/fep10/in.fep10.lmp
no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4hyd/fdti01/in.fdti01.lmp
no reference log file matches this input, while log.fdti01.lmp.smoke.1, log.fdti01.lmp.smoke.2, log.fdti01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4hyd/fdti10/in.fdti10.lmp
no reference log file matches this input, while log.fdti10.lmp.smoke.1, log.fdti10.lmp.smoke.2, log.fdti10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4hyd/fep01/in.fep01.lmp
no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4hyd/fep10/in.fep10.lmp
no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/ta/in.spce.lmp
no reference log file matches this input, while log.spce.lmp.smoke.1, log.spce.lmp.smoke.2, log.spce.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/smtbq/in.smatbAgCuPancake
no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
PACKAGES/smtbq/in.smatbBulkFCC
no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
PACKAGES/smtbq/in.smtbq.Al
no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
PACKAGES/smtbq/in.smtbq.Al2O3
the run needs 94 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, .. ...
QUANTUM/NWChem/in.water.mm
no reference log file matches this input, while log.22Mar23.series.plugin.w.bcc.1, log.22Mar23.series.plugin.w.diamond.1, log.22Mar23.series.plugin.w.sc_001.1, ... in this folder match no input script ...
QUANTUM/NWChem/in.zeolite.mm
no reference log file matches this input, while log.22Mar23.series.plugin.w.bcc.1, log.22Mar23.series.plugin.w.diamond.1, log.22Mar23.series.plugin.w.sc_001.1, ... in this folder match no input script ...
rigid/in.rigid.cubes.multirun
no reference log file matches this input, while log.20Mar22.rigid.rigid.molecule.g++.1, log.20Mar22.rigid.rigid.molecule.g++.4, log.rigid.cubes.gravity.1, ... in this folder match no input script at a ...
rigid/in.rigid.small.kk
no reference log file matches this input, while log.20Mar22.rigid.rigid.molecule.g++.1, log.20Mar22.rigid.rigid.molecule.g++.4, log.rigid.cubes.gravity.1, ... in this folder match no input script at a ...
snap/in.snap.grid
no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
snap/in.snap.grid.triclinic
no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
snap/in.snap.scale.Ni_Zuo_JCPA2020
no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
wall/in.wall.block
no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names
wall/in.wall.harmonic.2d
no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names
wall/in.wall.harmonic.outside.2d
no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names
wall/in.wall.sphere
no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names

velocities depend on the MPI count (110)

DIFFUSE/in.msd.2d
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Aug18.msd.2d.g++.8, which was written with 8 MPI processes instead of 2; the run needs 53 s: a production siz ...
DIFFUSE/in.vacf.2d
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Aug18.vacf.2d.g++.8, which was written with 8 MPI processes instead of 2; the run needs 56 s: a production si ...
KAPPA/in.ehex
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.ehex.g++.8, which was written with 8 MPI processes instead of 2; the run needs 53 s: a production size ...
KAPPA/in.heat
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.heat.g++.8, which was written with 8 MPI processes instead of 2; the run needs 56 s: a production size ...
KAPPA/in.heatflux
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.heatflux.g++.8, which was written with 8 MPI processes instead of 2; the run needs 118 s: a production ...
KAPPA/in.langevin
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.langevin.g++.8, which was written with 8 MPI processes instead of 2; the run needs 64 s: a production ...
KAPPA/in.mp
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.mp.g++.8, which was written with 8 MPI processes instead of 2; the run needs 64 s: a production sized ...
LEPTON/in.efield-lepton
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Jan25.efield-lepton.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/addtorque_group/in.addtorque
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.10Sep2025.addtorque.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/brownian/align_self/in.alignself_dipole
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Dec25.alignself_dipole.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/brownian/align_self/in.alignself_quat
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Dec25.alignself_quat.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/cauchy/in.cauchystat
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.2Jun2020.cauchystat.g++.1, which was written with 1 MPI processes instead of 2
PACKAGES/dispersion/in.d2
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Dec2024.d2.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dispersion/in.d3
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Dec2024.d3.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-basic/dpd/in.dpd
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.5Apr22.dpd.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-basic/dpdext/in.dpdext
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.5Apr22.dpdext.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-meso/edpd/in.edpd
velocity create with "loop local": cannot match log.21Apr23.edpd.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-meso/edpd/in.edpd-region
velocity create with "loop local": cannot match log.21Apr23.edpd-region.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-meso/mdpd/in.mdpd
velocity create with "loop local": cannot match log.16Aug17.mdpd.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-meso/tdpd/in.tdpd
velocity create with "loop local": cannot match log.21Apr23.tdpd.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-meso/tdpd/in.tdpd-region
velocity create with "loop local": cannot match log.21Apr23.tdpd-region.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/edip/in.edip-Si
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.4May2017.edip-Si.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/edip/in.edip-Si-multi
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.4May2017.edip-Si-multi.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/electron_stopping/in.cascade_AlCu
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Sep2020.cascade_AlCu.intel.4, which was written with 4 MPI processes instead of 2
PACKAGES/electron_stopping/in.cascade_SiSi
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Sep2020.cascade_SiSi.intel.4, which was written with 4 MPI processes instead of 2
PACKAGES/electron_stopping/in.elstop
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Mar19.elstop.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/hma/in.hma
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.6Nov18.hma.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/meam_spline/in.meam-spline.Si
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.17Dec2022.meam-spline.Si.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/meam_spline/in.meam-spline.TiO2
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.17Dec2022.meam-spline.TiO2.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/mgpt/in.bcc0
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.bcc0.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/mgpt/in.vac0-bcc
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.vac0-bcc.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/moments/in.converge
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.converge.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/moments/in.simple
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.simple.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/moments/in.valtest
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.valtest.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/pedone/in.pedone.melt
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Apr24.pedone.melt.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/qtb/methane_qtb/in.methane_qtb
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.30Nov23.methane_qtb.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/rhok/in.crystal
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.22Sep2017.crystal.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/rhok/in.setup
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.22Sep2017.setup.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/shock/hugoniostat/in.hugoniostat
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.08Feb21.hugoniostat.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/shock/msst/in.msst
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.08Feb21.msst.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/symmetry/in.lj_pinv
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27May26.lj_pinv.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/symmetry/in.lj_pm_wyckoff
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27May26.lj_pm_wyckoff.g++.4, which was written with 4 MPI processes instead of 2
SPIN/cobalt_fcc/in.spin.cobalt_fcc
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.cobalt_fcc.g++.4, which was written with 4 MPI processes instead of 2
SPIN/cobalt_hcp/in.spin.cobalt_hcp
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.cobalt_hcp.g++.4, which was written with 4 MPI processes instead of 2
SPIN/dipole_spin/in.spin.iron_dipole_cut
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron_dipole_cut.g++.4, which was written with 4 MPI processes instead of 2
SPIN/dipole_spin/in.spin.iron_dipole_ewald
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron_dipole_ewald.g++.4, which was written with 4 MPI processes instead of 2
SPIN/dipole_spin/in.spin.iron_dipole_pppm
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron_dipole_pppm.g++.4, which was written with 4 MPI processes instead of 2
SPIN/iron/in.spin.iron
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron.g++.4, which was written with 4 MPI processes instead of 2
SPIN/iron/in.spin.iron_cubic
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron_cubic.g++.4, which was written with 4 MPI processes instead of 2
SPIN/nickel/in.spin.nickel
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.nickel.g++.4, which was written with 4 MPI processes instead of 2
... and 60 more

Worth investigating (98)

A classical MD trajectory is chaotic, so a difference that appears late says nothing about the code, while one that is there in the first thermo output cannot be rounding. Inputs that cannot match their reference log file are listed above instead.

Differs before the trajectory can diverge (28)

PACKAGES/bocs/4_sites_LD_SG/in.ldd_create_data
differs in the very first thermo output
PACKAGES/bocs/4_sites_LD_SG/in.ldd_molecule
differs in the very first thermo output
PACKAGES/charge_regulation/in.chreg-polymer
differs in the very first thermo output
PACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long
differs in the very first thermo output
PACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat
differs in the very first thermo output
PACKAGES/ilves/in.polymelt
differs in the very first thermo output
PACKAGES/interlayer/aip_water_2dm/in.gr_water
differs in the very first thermo output
PACKAGES/interlayer/aip_water_2dm/in.gr_water.opt
differs in the very first thermo output
PACKAGES/mbx/256h2o/in.256h2o
differs in the very first thermo output
PACKAGES/mbx/256h2o_dipole/in.256h2o_dipole
differs in the very first thermo output
PACKAGES/mbx/mof_ff_lammps+1_h2o_mbx/in.mof_1h2o
differs in the very first thermo output
PACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst
differs in the very first thermo output
PACKAGES/qtb/alpha_quartz_qtb/in.alpha_quartz_qtb
differs in the very first thermo output
PACKAGES/rhok/in.pinning
differs in the very first thermo output
QUANTUM/PySCF/in.mixture.mm
differs in the very first thermo output
SPIN/read_restart/in.spin.restart
differs in the very first thermo output
deposit/in.deposit.atom
differs in the very first thermo output
reaxff/CHO/in.CHO
differs in the very first thermo output
reaxff/in.reaxff.rdx
differs in the very first thermo output
reaxff/in.reaxff.rdx-shielded
differs in the very first thermo output
reaxff/in.reaxff.tatb
differs in the very first thermo output
reaxff/in.reaxff.tatb-shielded
differs in the very first thermo output
reaxff/water/in.water.acks2
differs in the very first thermo output
reaxff/water/in.water.acks2.field
differs in the very first thermo output
rigid/in.rigid.dipoles
differs in the very first thermo output
rigid/in.rigid.spheres
differs in the very first thermo output
streitz/in.streitz.ewald
differs in the very first thermo output
template/in.mol-restart-mix
differs in the very first thermo output

Differs within the first 200 steps (70)

ASPHERE/flat_membrane/in.flat_membrane
differs from step 200 on (output row 1)
ASPHERE/vesicle/in.vesicle
differs from step 200 on (output row 1)
MC-LOOP/in.mc
differs from step 0 on (output row 1)
PACKAGES/baoab/in.baoab_lj
differs from step 100 on (output row 1)
PACKAGES/brownian/spherical_ABP/in.2d.abp
differs from step 0 on (output row 51)
PACKAGES/charge_regulation/in.chreg-acid
differs from step 100 on (output row 1)
PACKAGES/charge_regulation/in.chreg-acid-real
differs from step 100 on (output row 1)
PACKAGES/cnp/in.cnp
differs from step 10 on (output row 1)
PACKAGES/drude/butane/in.butane.lang
differs from step 50 on (output row 1)
PACKAGES/drude/butane/in.butane.nh
differs from step 100 on (output row 2)
PACKAGES/drude/butane/in.butane.tgnh
differs from step 50 on (output row 1)
PACKAGES/drude/ethanol/in.ethanol.lang
differs from step 20 on (output row 1)
PACKAGES/drude/ethanol/in.ethanol.nh
differs from step 60 on (output row 3)
PACKAGES/drude/ethanol/in.ethanol.tgnh
differs from step 20 on (output row 1)
PACKAGES/drude/ethylene_glycol/in.ethylene_glycol
differs from step 100 on (output row 2)
PACKAGES/drude/swm4-ndp/in.swm4-ndp.lang
differs from step 20 on (output row 1)
PACKAGES/drude/swm4-ndp/in.swm4-ndp.nh
differs from step 20 on (output row 1)
PACKAGES/extep/in.extep-bn
differs from step 60 on (output row 6)
PACKAGES/gle/in.h2o-quantum
differs from step 100 on (output row 1)
PACKAGES/gle/in.h2o-smart
differs from step 100 on (output row 1)
PACKAGES/grem/lj-single/in.gREM-npt
differs from step 20 on (output row 2)
PACKAGES/ilves/in.cg-polymers
differs from step 100 on (output row 1)
PACKAGES/interlayer/drip/in.CH_drip
differs from step 30 on (output row 3)
PACKAGES/interlayer/ilp_tmds/in.mos2
differs from step 100 on (output row 1)
PACKAGES/interlayer/saip_metal_tmd/in.au_mos2
differs from step 100 on (output row 1)
PACKAGES/meam_sw_spline/Si/in.dc_relax
differs from step 136 on (output row 136)
PACKAGES/meam_sw_spline/Ti/in.energy_conservation.meam.sw
differs from step 140 on (output row 14)
PACKAGES/neighbor-swap/in.KMC_pulse_center
differs from step 100 on (output row 2)
PACKAGES/neighbor-swap/in.KMC_pulse_edge
differs from step 100 on (output row 2)
PACKAGES/plumed/in.peptide-plumed
differs from step 10 on (output row 1)
PACKAGES/qtb/methane_qbmsst/in.methane_qbmsst
differs from step 20 on (output row 1)
SPIN/bfo/in.spin.bfo
differs from step 50 on (output row 1)
SPIN/read_restart/in.spin.write_restart
differs from step 100 on (output row 1)
charmmfsw/in.charmmfsw
differs from step 20 on (output row 2)
controller/in.controller.temp
differs from step 50 on (output row 1)
coreshell/in.coreshell
differs from step 50 on (output row 1)
coreshell/in.coreshell.dsf
differs from step 50 on (output row 1)
coreshell/in.coreshell.thermostats
differs from step 50 on (output row 1)
coreshell/in.coreshell.wolf
differs from step 50 on (output row 1)
deposit/in.deposit.molecule
differs from step 100 on (output row 1)
deposit/in.deposit.molecule.rigid-nve-small
differs from step 100 on (output row 1)
deposit/in.deposit.molecule.rigid-nvt-small
differs from step 100 on (output row 1)
deposit/in.deposit.molecule.rigid-small
differs from step 100 on (output row 1)
deposit/in.deposit.molecule.shake
differs from step 100 on (output row 1)
eim/in.eim
differs from step 50 on (output row 1)
mc/in.gcmc.region
differs from step 100 on (output row 1)
mc/in.widom.lj
differs from step 10 on (output row 1)
qeq/in.qeq.buck
differs from step 0 on (output row 45)
reaxff/AB/in.AB
differs from step 100 on (output row 1)
reaxff/AuO/in.AuO
differs from step 5 on (output row 1)
... and 20 more

Differs after 200 to 1000 steps (19)

ASPHERE/ellipsoid/in.ellipsoid
differs from step 1000 on (output row 10)
ASPHERE/ellipsoid/in.ellipsoid.mp
differs from step 1000 on (output row 10)
PACKAGES/bocs/in.methanol
differs from step 500 on (output row 1)
PACKAGES/brownian/2d_velocity/in.2d.velocity
differs from step 500 on (output row 1)
PACKAGES/manybody_table/in.spce
differs from step 400 on (output row 4)
PACKAGES/manybody_table/in.spce2
differs from step 400 on (output row 4)
PACKAGES/manybody_table/in.spce_sw
differs from step 1000 on (output row 10)
PACKAGES/shock/nemd/in.nemd
differs from step 1000 on (output row 2)
controller/in.controller.wall
differs from step 500 on (output row 1)
mc/in.gcmc.lj
differs from step 1000 on (output row 1)
mc/in.hmc.flexible.melt
differs from step 950 on (output row 19)
micelle/in.micelle
differs from step 1000 on (output row 41)
nb3b/in.nb3b.screened
differs from step 700 on (output row 7)
rdf-adf/in.spce.hbond
differs from step 400 on (output row 4)
rerun/in.first
differs from step 1000 on (output row 10)
rerun/in.rdf.first
differs from step 1000 on (output row 10)
rerun/in.rdf.rerun
differs from step 1000 on (output row 10)
rigid/in.rigid.cubes.nph
differs from step 600 on (output row 3)
rigid/in.rigid.cubes.npt
differs from step 600 on (output row 3)

Differs only after 1000 steps, consistent with chaos (10)

PACKAGES/pafi/in.pafi
differs from step 1100 on (output row 15)
balance/in.balance
differs from step 6200 on (output row 62)
balance/in.balance.bond.fast
differs from step 2200 on (output row 22)
cmap/in.cmap
differs from step 9000 on (output row 9)
ellipse/in.ellipse.gayberne
differs from step 2500 on (output row 26)
ellipse/in.ellipse.resquared
differs from step 3800 on (output row 39)
gjf/in.gjf.vfull
differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
gjf/in.gjf.vhalf
differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
replicate/in.replicate.bond.x
differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
replicate/in.replicate.bond.x.noloop
differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started

Not really tested (114)

41	no reference log file, run as a crash test
27	needs a multi-partition run
26	package not installed
20	no reference log file, not shortened

All tests

Status	Test	Time (s)	Details
⚠ error	`ASPHERE/box/in.box`	1.9	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
⚠ error	`ASPHERE/box/in.box.mp`	1.9	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
⚠ error	`ASPHERE/dimer/in.dimer`	0.9	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
⚠ error	`ASPHERE/dimer/in.dimer.mp`	1.1	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
✗ failed	`ASPHERE/ellipsoid/in.ellipsoid`	6.4	completed, 2 abs diff and 5 rel diff checks failed differs from step 1000 on (output row 10)
✗ failed	`ASPHERE/ellipsoid/in.ellipsoid.mp`	6.7	completed, 3 abs diff and 5 rel diff checks failed differs from step 1000 on (output row 10)
✗ failed	`ASPHERE/flat_membrane/in.flat_membrane`	5.3	completed, 1 abs diff and 2 rel diff checks failed differs from step 200 on (output row 1)
⚠ error	`ASPHERE/line/in.line`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`ASPHERE/line/in.line.srd`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`ASPHERE/poly/in.poly`	3.2	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
⚠ error	`ASPHERE/poly/in.poly.mp`	3.0	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
⚠ error	`ASPHERE/star/in.star`	1.3	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
⚠ error	`ASPHERE/star/in.star.mp`	1.3	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
⚠ error	`ASPHERE/superellipsoid_gran/in.bowling`	0.9	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
⚠ error	`ASPHERE/superellipsoid_gran/in.drop_test`	1.9	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
⚠ error	`ASPHERE/superellipsoid_gran/in.ellipsoid_gran`	2.0	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
⚠ error	`ASPHERE/superellipsoid_gran/in.super_table`	1.1	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
⚠ error	`ASPHERE/tri/in.tri.srd`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
✗ failed	`ASPHERE/vesicle/in.vesicle`	3.9	completed, 1 abs diff and 2 rel diff checks failed differs from step 200 on (output row 1)
⚠ error	`COUPLE/lammps_spparks/in.lammps`	0.5	failed, ERROR: Cannot open file data.lammps: No such file or directory (src/read_data.cpp:382)
⚠ error	`COUPLE/lammps_spparks/in.spparks`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: seed 56789 (src/input.cpp:308)
○ skipped	`COUPLE/multiple/in.chain`	1.1	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`COUPLE/plugin/in.lj`	0.5	completed, numerical checks skipped due to missing the reference log file
○ skipped	`COUPLE/python/in.fix_external`	0.6	completed, but no Step nor Loop in the output
○ skipped	`COUPLE/simple/in.lj`	0.6	completed, numerical checks skipped due to missing the reference log file
✗ failed	`DIFFUSE/in.msd.2d`	53.1	completed, 4 abs diff and 4 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Aug18.msd.2d.g++.8, which was written with 8 MPI processes instead of 2; the run needs 53 s: a production siz ...
✗ failed	`DIFFUSE/in.vacf.2d`	56.2	completed, 4 abs diff and 4 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Aug18.vacf.2d.g++.8, which was written with 8 MPI processes instead of 2; the run needs 56 s: a production si ...
⚠ error	`ELASTIC/in.elastic`	0.6	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
○ skipped	`ELASTIC_T/BORN_MATRIX/Argon/Analytical/in.ljcov`	41.7	completed, error parsing log.ljcov.2 into YAML
○ skipped	`ELASTIC_T/BORN_MATRIX/Argon/Numdiff/in.ljcov`	79.7	completed, error parsing log.ljcov.2 into YAML the run needs 80 s: a production sized run that should be shortened in the repository
⚠ error	`ELASTIC_T/BORN_MATRIX/Silicon/in.elastic`	1.2	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
⚠ error	`ELASTIC_T/DEFORMATION/Silicon/in.elastic`	1.0	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
⚠ error	`GRAPHICS/in.bpm-fracture`	2.8	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
○ skipped	`GRAPHICS/in.breakable`	3.5	completed, error parsing log.breakable.smoke.2 into YAML
⚠ error	`GRAPHICS/in.cubes-and-pyramids`	1.0	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`GRAPHICS/in.mixer-drum`	1.0	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
○ skipped	`GRAPHICS/in.obstacle-lines`	3.1	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`GRAPHICS/in.peptide-depth`	8.0	completed, error parsing log.peptide-depth.smoke.2 into YAML
○ skipped	`GRAPHICS/in.peptide-hbonds`	4.7	completed, error parsing log.peptide-hbonds.smoke.2 into YAML
○ skipped	`GRAPHICS/in.peptide-pimd`	0.0	skipped, needs a multi-partition run ("fix 1 all pimd/langevin")
○ skipped	`GRAPHICS/in.rhodo-delaunay`	10.8	completed, error parsing log.rhodo-delaunay.smoke.2 into YAML
○ skipped	`GRAPHICS/in.water-arrows`	8.9	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◴ timeout	`HEAT/in.lj.ehex`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
◴ timeout	`HEAT/in.lj.hex`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
◴ timeout	`HEAT/in.spce.ehex`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
◴ timeout	`HEAT/in.spce.hex`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
✗ failed	`KAPPA/in.ehex`	52.6	completed, 5 abs diff and 5 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.ehex.g++.8, which was written with 8 MPI processes instead of 2; the run needs 53 s: a production size ...
✗ failed	`KAPPA/in.heat`	55.9	completed, 5 abs diff and 5 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.heat.g++.8, which was written with 8 MPI processes instead of 2; the run needs 56 s: a production size ...
✗ failed	`KAPPA/in.heatflux`	118.2	completed, 4 abs diff and 4 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.heatflux.g++.8, which was written with 8 MPI processes instead of 2; the run needs 118 s: a production ...
✗ failed	`KAPPA/in.langevin`	64.3	completed, 5 abs diff and 5 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.langevin.g++.8, which was written with 8 MPI processes instead of 2; the run needs 64 s: a production ...
✗ failed	`KAPPA/in.mp`	64.0	completed, 7 abs diff and 7 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.mp.g++.8, which was written with 8 MPI processes instead of 2; the run needs 64 s: a production sized ...
✓ passed	`LEPTON/in.efield-lepton`	2.0	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Jan25.efield-lepton.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`MC-LOOP/in.mc`	1.9	completed, 3002 abs diff and 3002 rel diff checks failed differs from step 0 on (output row 1)
✗ failed	`PACKAGES/addtorque_group/in.addtorque`	16.8	completed, 3 abs diff and 4 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.10Sep2025.addtorque.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`PACKAGES/adios/balance/in.adios_balance`	1.0	failed, package not installed, ERROR: Unrecognized dump style 'custom/adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/adios/balance/in.adios_balance2`	1.0	failed, package not installed, ERROR: Unrecognized reader style 'adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/adios/rerun/in.first`	1.0	failed, package not installed, ERROR: Unrecognized dump style 'custom/adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/adios/rerun/in.read_dump`	0.5	failed, package not installed, ERROR: Unrecognized reader style 'adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/adios/rerun/in.rerun`	0.5	failed, package not installed, ERROR: Unrecognized reader style 'adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
○ skipped	`PACKAGES/alchemy/in.alloy`	0.0	skipped, needs a multi-partition run ("fix 2 all alchemy")
○ skipped	`PACKAGES/alchemy/in.twowater`	0.0	skipped, needs a multi-partition run ("fix transform all alchemy")
⚠ error	`PACKAGES/apip/in.surface.balance`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/apip/in.surface.la.cons`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/apip/in.surface.la.cons.balance`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/apip/in.surface.la.nocons`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/apip/in.vacancy.const.lambda`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/apip/in.vacancy.dynamic.lambda`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/apip/in.validate`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
✗ failed	`PACKAGES/baoab/in.baoab_lj`	1.8	completed, 8 abs diff and 8 rel diff checks failed differs from step 100 on (output row 1)
◴ timeout	`PACKAGES/basal/in.basal`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost ...
✓ passed	`PACKAGES/bocs/1_site_just_pair_LD/in.basic_ldd`	2.0
✗ failed	`PACKAGES/bocs/4_sites_LD_SG/in.ldd_create_data`	3.6	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/bocs/4_sites_LD_SG/in.ldd_molecule`	5.1	completed, 5 abs diff and 5 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/bocs/in.methanol`	11.6	completed, 4 abs diff and 4 rel diff checks failed differs from step 500 on (output row 1)
✓ passed	`PACKAGES/bondval/in.hexbto`	8.1
✗ failed	`PACKAGES/brownian/2d_velocity/in.2d.velocity`	1.3	completed, 1 abs diff and 1 rel diff checks failed differs from step 500 on (output row 1)
✗ failed	`PACKAGES/brownian/align_self/in.alignself_dipole`	4.8	completed, 5 abs diff and 6 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Dec25.alignself_dipole.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/brownian/align_self/in.alignself_quat`	6.4	completed, 6 abs diff and 6 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Dec25.alignself_quat.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/brownian/asphere/in.2d.ellipsoid`	1.0
✓ passed	`PACKAGES/brownian/asphere/in.3d.ellipsoid`	1.2
✓ passed	`PACKAGES/brownian/point/in.2d.point`	0.8
✓ passed	`PACKAGES/brownian/point/in.3d.point`	0.8
✓ passed	`PACKAGES/brownian/sphere/in.2d.sphere`	0.9
✓ passed	`PACKAGES/brownian/sphere/in.3d.sphere`	1.0
✗ failed	`PACKAGES/brownian/spherical_ABP/in.2d.abp`	9.0	completed, 1 abs diff and 1 rel diff checks failed differs from step 0 on (output row 51)
✓ passed	`PACKAGES/brownian/spherical_ABP/in.3d.ideal_abp`	3.3
✗ failed	`PACKAGES/cauchy/in.cauchystat`	2.0	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.2Jun2020.cauchystat.g++.1, which was written with 1 MPI processes instead of 2
⚠ error	`PACKAGES/cgdna/examples/lj_units/oxDNA/duplex1/in.duplex1`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/lj_units/oxDNA/duplex2/in.duplex2`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/lj_units/oxDNA/potential_file/in.duplex1`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/lj_units/oxDNA2/dsring/in.dsring`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex1/in.duplex1`	0.4	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex2/in.duplex2`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex3/in.duplex3`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/lj_units/oxDNA2/potential_file/in.duplex1`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/lj_units/oxDNA3/duplex2/in.duplex2`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/lj_units/oxDNA3/unique_bp/in.dsring2`	0.6	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/lj_units/oxRNA2/duplex2/in.duplex2`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/lj_units/oxRNA2/potential_file/in.duplex2`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/real_units/oxDNA/duplex1/in.duplex1`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/real_units/oxDNA/duplex2/in.duplex2`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/real_units/oxDNA/potential_file/in.duplex1`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/real_units/oxDNA2/dsring/in.dsring`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/real_units/oxDNA2/duplex1/in.duplex1`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/real_units/oxDNA2/duplex2/in.duplex2`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/real_units/oxDNA2/duplex3/in.duplex3`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/real_units/oxDNA2/potential_file/in.duplex1`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/real_units/oxDNA3/duplex2/in.duplex2`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/real_units/oxDNA3/unique_bp/in.dsring2`	0.6	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/real_units/oxRNA2/duplex2/in.duplex2`	0.4	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/cgdna/examples/real_units/oxRNA2/potential_file/in.duplex2`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
○ skipped	`PACKAGES/cgspica/peg-verlet/in.pegc12e8`	17.9	completed, error parsing log.pegc12e8.2 into YAML
○ skipped	`PACKAGES/cgspica/peg-verlet/in.pegc12e8-angle`	18.6	completed, error parsing log.pegc12e8-angle.2 into YAML
⚠ error	`PACKAGES/cgspica/sds-monolayer/in.sds-hybrid`	0.7	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
✓ passed	`PACKAGES/cgspica/sds-monolayer/in.sds-regular`	2.1
✗ failed	`PACKAGES/charge_regulation/in.chreg-acid`	2.4	completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/charge_regulation/in.chreg-acid-real`	4.1	completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/charge_regulation/in.chreg-polymer`	2.9	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
⚠ error	`PACKAGES/class2xe/in.NVT_class2xe.script`	0.5	failed, ERROR: Label maps are currently not supported with Kokkos (src/atom.cpp:2325)
✗ failed	`PACKAGES/cnp/in.cnp`	5.2	completed, 8 abs diff and 8 rel diff checks failed differs from step 10 on (output row 1)
○ skipped	`PACKAGES/colvars/in.peptide-colvars`	2.1	completed, error parsing log.peptide-colvars.2 into YAML
○ skipped	`PACKAGES/colvars/in.peptide-colvars2`	1.1	completed, error parsing log.peptide-colvars2.2 into YAML
✓ passed	`PACKAGES/colvars/in.peptide-spring`	0.9
✓ passed	`PACKAGES/colvars/in.peptide-spring2`	1.1
⚠ error	`PACKAGES/dielectric/in.confined`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/dielectric/in.nopbc`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
✓ passed	`PACKAGES/diffraction/in.BulkNi`	37.4
⚠ error	`PACKAGES/dispersion/in.d2`	0.6	failed, ERROR: Pair style pace/kk can currently only run on a single CPU thread (src/KOKKOS/pair_pace_kokkos.cpp:411) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Dec2024.d2.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`PACKAGES/dispersion/in.d3`	0.6	failed, ERROR: Pair style pace/kk can currently only run on a single CPU thread (src/KOKKOS/pair_pace_kokkos.cpp:411) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Dec2024.d3.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/dpd-basic/dpd/in.dpd`	1.0	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.5Apr22.dpd.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long`	4.0	completed, 4 abs diff and 4 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat`	3.5	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/dpd-basic/dpdext/in.dpdext`	1.1	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.5Apr22.dpdext.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`PACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat`	2.1	failed, ERROR on proc 0: Non-numeric atom coords - simulation unstable
⚠ error	`PACKAGES/dpd-meso/edpd/in.edpd`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559) velocity create with "loop local": cannot match log.21Apr23.edpd.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`PACKAGES/dpd-meso/edpd/in.edpd-region`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559) velocity create with "loop local": cannot match log.21Apr23.edpd-region.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`PACKAGES/dpd-meso/mdpd/in.mdpd`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559) velocity create with "loop local": cannot match log.16Aug17.mdpd.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`PACKAGES/dpd-meso/tdpd/in.tdpd`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559) velocity create with "loop local": cannot match log.21Apr23.tdpd.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`PACKAGES/dpd-meso/tdpd/in.tdpd-region`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559) velocity create with "loop local": cannot match log.21Apr23.tdpd-region.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`PACKAGES/dpd-react/dpd-shardlow/in.dpd-shardlow`	0.5	failed, ERROR: Must use pair_style dpd/fdt/energy/kk with fix shardlow/kk (src/KOKKOS/fix_shardlow_kokkos.cpp:93)
○ skipped	`PACKAGES/dpd-react/dpd-vv/in.dpd-vv`	1.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/dpd-react/dpde-shardlow/in.dpde-shardlow`	0.7	completed, numerical checks skipped due to missing the reference log file
○ skipped	`PACKAGES/dpd-react/dpde-vv/in.dpde-vv`	1.1	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/dpd-react/dpdh-shardlow/in.dpdh-shardlow`	1.7	completed, numerical checks skipped due to missing the reference log file
⚠ error	`PACKAGES/dpd-react/dpdp-shardlow/in.dpdp-shardlow`	0.5	failed, ERROR: Must use pair_style dpd/fdt/energy/kk with fix shardlow/kk (src/KOKKOS/fix_shardlow_kokkos.cpp:93)
⚠ error	`PACKAGES/dpd-react/dpdrx-shardlow/in.dpdrx-shardlow`	0.5	failed, ERROR on proc 0: Shardlow algorithm requires sub-domain length > 2*(rcut+skin). Either reduce the number of processors requested, or change the cutoff/skin: rcut= 3.600000e+01 bbx= 3.456527e+0 ...
○ skipped	`PACKAGES/dpd-react/multi-lucy/in.multi-lucy`	0.9	completed, numerical checks skipped due to missing the reference log file
⚠ error	`PACKAGES/dpd-smooth/2d-diffusion-in-shear-flow/in.lammps`	1.0	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/dpd-smooth/2d-diffusion/in.lammps`	1.0	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/dpd-smooth/equipartition-verification/in.lammps`	1.0	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
✗ failed	`PACKAGES/drude/butane/in.butane.lang`	40.8	completed, 5 abs diff and 5 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`PACKAGES/drude/butane/in.butane.nh`	40.7	completed, 3 abs diff and 2 rel diff checks failed differs from step 100 on (output row 2)
✗ failed	`PACKAGES/drude/butane/in.butane.tgnh`	39.4	completed, 5 abs diff and 5 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`PACKAGES/drude/ethanol/in.ethanol.lang`	28.5	completed, 5 abs diff and 5 rel diff checks failed differs from step 20 on (output row 1)
✗ failed	`PACKAGES/drude/ethanol/in.ethanol.nh`	31.2	completed, 5 abs diff and 5 rel diff checks failed differs from step 60 on (output row 3)
✗ failed	`PACKAGES/drude/ethanol/in.ethanol.tgnh`	28.4	completed, 5 abs diff and 5 rel diff checks failed differs from step 20 on (output row 1)
✗ failed	`PACKAGES/drude/ethylene_glycol/in.ethylene_glycol`	25.3	completed, 3 abs diff and 4 rel diff checks failed differs from step 100 on (output row 2)
✗ failed	`PACKAGES/drude/swm4-ndp/in.swm4-ndp.lang`	25.3	completed, 5 abs diff and 5 rel diff checks failed differs from step 20 on (output row 1)
✗ failed	`PACKAGES/drude/swm4-ndp/in.swm4-ndp.nh`	27.2	completed, 5 abs diff and 5 rel diff checks failed differs from step 20 on (output row 1)
✗ failed	`PACKAGES/drude/toluene/in.toluene.lang`	56.3	completed, 5 abs diff and 5 rel diff checks failed differs from step 50 on (output row 1) the run needs 56 s: a production sized run that should be shortened in the repository
✗ failed	`PACKAGES/drude/toluene/in.toluene.nh`	56.0	completed, 5 abs diff and 5 rel diff checks failed differs from step 50 on (output row 1) the run needs 56 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/e3b/in.e3b-tip4p2005`	4.0
✗ failed	`PACKAGES/edip/in.edip-Si`	0.6	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.4May2017.edip-Si.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/edip/in.edip-Si-multi`	0.6	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.4May2017.edip-Si-multi.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/edip/in.edip-SiC`	0.5
✓ passed	`PACKAGES/ees/in.fix_wall`	1.0
✓ passed	`PACKAGES/ees/in.fix_wall_region`	1.4
⚠ error	`PACKAGES/eff/Auger-Adamantane/in.adamantane_ionized.nve`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/Be-solid/in.Be-solid.spe`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/CH4/in.ch4.dynamics`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/CH4/in.ch4.min`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/CH4/in.ch4_ionized.dynamics`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/ECP/Si2H6/in.Si2H6`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/ECP/Si2H6/in.Si2H6.ang`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/ECP/SiC/bulk/in.SiC`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/ECP/SiH4/in.SiH4`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/ECP/SiH4/in.SiH4.ang`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/H/in.h_atom.spe.ang`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/H/in.h_atom.spe.bohr`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/H2/in.h2`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/H_plasma/in.h2bulk.npt`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/H_plasma/in.h2bulk.nve`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/H_plasma/in.h2bulk.nve.ang`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/Li-dendritic/in.Li-dendritic.min`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/Li-dendritic/in.Li-dendritic.nvt`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/Li-solid/in.Li.ang`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/Li-solid/in.Li.bohr`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.ang`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.bohr`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/fixed-core/CH4/in.CH4fc.ang`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/fixed-core/CH4/in.CH4fc.bohr`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.ang`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.bohr`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
○ skipped	`PACKAGES/electrode/au-aq/in.ffield`	67.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash the run needs 68 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost is in the setup); no reference ...
○ skipped	`PACKAGES/electrode/au-aq/in.tf`	69.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash the run needs 69 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost is in the setup); no reference ...
○ skipped	`PACKAGES/electrode/graph-il/in.conp`	7.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
○ skipped	`PACKAGES/electrode/graph-il/in.conq`	7.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
○ skipped	`PACKAGES/electrode/graph-il/in.conq2`	7.3	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
○ skipped	`PACKAGES/electrode/graph-il/in.etypes`	7.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
○ skipped	`PACKAGES/electrode/graph-il/in.ffield`	6.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
○ skipped	`PACKAGES/electrode/graph-il/in.ramp`	7.3	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
○ skipped	`PACKAGES/electrode/graph-il/in.thermo`	7.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
○ skipped	`PACKAGES/electrode/madelung/in.cg`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
✓ passed	`PACKAGES/electrode/madelung/in.eta`	0.5
✓ passed	`PACKAGES/electrode/madelung/in.eta_cg`	0.5
✓ passed	`PACKAGES/electrode/madelung/in.eta_mix`	0.5
✓ passed	`PACKAGES/electrode/madelung/in.ewald-ew2d`	0.6
○ skipped	`PACKAGES/electrode/madelung/in.ewald-ew3dc`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
○ skipped	`PACKAGES/electrode/madelung/in.ewald-ffield`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
○ skipped	`PACKAGES/electrode/madelung/in.pppm-ew3dc`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
○ skipped	`PACKAGES/electrode/madelung/in.pppm-ffield`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
◴ timeout	`PACKAGES/electrode/piston/in.piston`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/electrode/planar/in.planar-ewald-ew2d`	0.5
✓ passed	`PACKAGES/electrode/planar/in.planar-ewald-ew3dc`	0.6
✓ passed	`PACKAGES/electrode/planar/in.planar-ewald-ffield`	0.5
✓ passed	`PACKAGES/electrode/planar/in.planar-pppm-ew3dc`	0.9
✓ passed	`PACKAGES/electrode/planar/in.planar-pppm-ffield`	1.0
✗ failed	`PACKAGES/electron_stopping/in.cascade_AlCu`	2.2	completed, 2 abs diff and 0 rel diff checks failed differs from step 30 on (output row 6) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Sep2020.cascade_AlCu.intel.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/electron_stopping/in.cascade_SiSi`	2.6	completed, 2 abs diff and 0 rel diff checks failed differs from step 5 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Sep2020.cascade_SiSi.intel.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/electron_stopping/in.elstop`	7.7	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Mar19.elstop.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/electron_stopping/in.elstop.only`	1.3
○ skipped	`PACKAGES/entropy/in.entropy`	1.1	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✗ failed	`PACKAGES/extep/in.extep-bn`	0.8	completed, 3 abs diff and 1 rel diff checks failed differs from step 60 on (output row 6)
○ skipped	`PACKAGES/fep/C7inEthanol/fep01/in.insertion`	0.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/fep/C7inEthanol/fep10/in.deletion`	0.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/fep/CC-CO/fep01/in.fep01.lmp`	1.9	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/CC-CO/fep10/in.fep10.lmp`	2.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/CH4-CF4/bar01/in.bar01.lmp`	1.2	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.bar01.lmp.smoke.1, log.bar01.lmp.smoke.2, log.bar01.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/CH4-CF4/bar10/in.bar10.lmp`	1.1	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.bar10.lmp.smoke.1, log.bar10.lmp.smoke.2, log.bar10.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/CH4-CF4/fep01/in.fep01.lmp`	1.3	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/CH4-CF4/fep10/in.fep10.lmp`	1.1	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/CH4hyd/fdti01/in.fdti01.lmp`	2.3	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fdti01.lmp.smoke.1, log.fdti01.lmp.smoke.2, log.fdti01.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/CH4hyd/fdti10/in.fdti10.lmp`	2.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fdti10.lmp.smoke.1, log.fdti10.lmp.smoke.2, log.fdti10.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/CH4hyd/fep01/in.fep01.lmp`	1.8	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/CH4hyd/fep10/in.fep10.lmp`	1.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/ta/in.spce.lmp`	2.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.spce.lmp.smoke.1, log.spce.lmp.smoke.2, log.spce.lmp.smoke.4 in this folder match no input script at all: check the names
⚠ error	`PACKAGES/filter_corotate/in.bpti`	2.5	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
⚠ error	`PACKAGES/filter_corotate/in.peptide`	1.1	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
⚠ error	`PACKAGES/flow_gauss/in.GD`	2.1	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
⚠ error	`PACKAGES/gauss_diel/in.gauss-diel`	1.0	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
⚠ error	`PACKAGES/gauss_diel/in.gauss-diel-cg`	1.1	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
⚠ error	`PACKAGES/gauss_diel/in.gauss-diel-split`	1.0	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
✗ failed	`PACKAGES/gle/in.h2o-quantum`	18.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/gle/in.h2o-smart`	18.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
⚠ error	`PACKAGES/grem/lj-6rep/in.gREM`	0.9	failed, ERROR: Cannot open file restart_file: No such file or directory (src/read_data.cpp:382)
✗ failed	`PACKAGES/grem/lj-single/in.gREM-npt`	0.9	completed, 4 abs diff and 4 rel diff checks failed differs from step 20 on (output row 2)
✓ passed	`PACKAGES/grem/lj-single/in.gREM-nvt`	1.0
○ skipped	`PACKAGES/grem/lj-temper/in.gREM-temper`	0.0	skipped, needs a multi-partition run ("temper/grem")
⚠ error	`PACKAGES/hdnnp/in.hdnnp`	0.5	failed, package not installed, ERROR: Unrecognized pair style 'hdnnp' is part of the ML-HDNNP package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/hdnnp/in.hybrid`	0.5	failed, package not installed, ERROR: Unrecognized pair style 'hdnnp' is part of the ML-HDNNP package which is not enabled in this LAMMPS binary.
○ skipped	`PACKAGES/hma/in.hma`	42.3	completed, but no Step nor Loop in the output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.6Nov18.hma.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/ilves/in.cg-polymers`	1.9	completed, 7 abs diff and 7 rel diff checks failed differs from step 100 on (output row 1)
⚠ error	`PACKAGES/ilves/in.covid`	0.5	failed, ERROR: Label maps are currently not supported with Kokkos (src/atom.cpp:2325)
○ skipped	`PACKAGES/ilves/in.dimer`	0.9	completed, error parsing log.dimer.2 into YAML
⚠ error	`PACKAGES/ilves/in.peptide-allbonds`	0.5	failed, ERROR on proc 1: Out of range atoms - cannot compute PPPM
⚠ error	`PACKAGES/ilves/in.peptide-fixed`	0.5	failed, ERROR on proc 1: Out of range atoms - cannot compute PPPM
○ skipped	`PACKAGES/ilves/in.peptide-ilves`	2.3	completed, error parsing log.peptide-ilves.2 into YAML
○ skipped	`PACKAGES/ilves/in.peptide-mix`	2.3	completed, error parsing log.peptide-mix.2 into YAML
○ skipped	`PACKAGES/ilves/in.peptide-rattle`	2.0	completed, error parsing log.peptide-rattle.2 into YAML
○ skipped	`PACKAGES/ilves/in.peptide-shake`	2.0	completed, error parsing log.peptide-shake.2 into YAML
✗ failed	`PACKAGES/ilves/in.polymelt`	10.7	completed, 2 abs diff and 3 rel diff checks failed differs in the very first thermo output
⚠ error	`PACKAGES/ilves/in.rhodo-allbonds`	2.1	failed, ERROR: Non-numeric pressure - simulation unstable
○ skipped	`PACKAGES/ilves/in.rhodo-ilves`	15.9	completed, error parsing log.rhodo-ilves.2 into YAML
○ skipped	`PACKAGES/ilves/in.rhodo-shake`	15.4	completed, error parsing log.rhodo-shake.2 into YAML
○ skipped	`PACKAGES/imd/in.bucky-plus-cnt`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.bucky-plus-cnt-gpu`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala-solv-filter_imd`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala-solv_imd`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala-solv_imd_v3`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala_imd`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala_imd-gpu`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.melt_imd`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.melt_imd-gpu`	0.0	skipped as specified in the test configuration
✗ failed	`PACKAGES/interlayer/aip_water_2dm/in.gr_water`	22.8	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/interlayer/aip_water_2dm/in.gr_water.opt`	17.0	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/interlayer/drip/in.CH_drip`	1.1	completed, 2 abs diff and 1 rel diff checks failed differs from step 30 on (output row 3)
✓ passed	`PACKAGES/interlayer/drip/in.C_drip`	1.2
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene`	28.8
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBN`	30.7
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.grhBN`	29.7
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn`	30.0
✗ failed	`PACKAGES/interlayer/ilp_tmds/in.mos2`	23.1	completed, 1 abs diff and 0 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`PACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphene`	26.0
✓ passed	`PACKAGES/interlayer/kolmogorov_crespi_z/in.atom-diffusion`	0.8
✓ passed	`PACKAGES/interlayer/kolmogorov_crespi_z/in.bilayer-graphene`	1.1
✓ passed	`PACKAGES/interlayer/saip_metal/in.gold_gr`	4.2
✗ failed	`PACKAGES/interlayer/saip_metal_tmd/in.au_mos2`	24.8	completed, 3 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
⚠ error	`PACKAGES/ipi/in.graphene`	1.0	failed, ERROR on proc 0: Error opening UNIX socket: server may not be running or the path to the socket unavailable (src/MISC/fix_ipi.cpp:131)
◴ timeout	`PACKAGES/latboltz/confined_colloid/in.confined_colloids`	180.1	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
⚠ error	`PACKAGES/latboltz/diffusingsphere/in.trapnewsphere`	3.7	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
✓ passed	`PACKAGES/latboltz/dragforce/in.dragtest`	122.4	the run needs 122 s: a production sized run that should be shortened in the repository
◴ timeout	`PACKAGES/latboltz/microrheology/in.microrheology`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/latboltz/pit_geometry/in.pits`	92.3	the run needs 92 s: a production sized run that should be shortened in the repository
◴ timeout	`PACKAGES/latboltz/planewall/in.planewall`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
◴ timeout	`PACKAGES/latboltz/polymer/in.polymer`	180.1	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
⚠ error	`PACKAGES/latboltz/toycar/in.toycar`	0.6	failed, ERROR: Fix wall/region/kk requires region style block/kk or sphere/kk (src/KOKKOS/fix_wall_region_kokkos.cpp:68)
◴ timeout	`PACKAGES/latboltz/translocation/in.translocation`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
○ skipped	`PACKAGES/local_density/benzene_water/in.benzene_water`	19.5	completed, but no Step nor Loop in the output
○ skipped	`PACKAGES/local_density/methanol_implicit_water/in.methanol_implicit_water`	20.6	completed, but no Step nor Loop in the output
⚠ error	`PACKAGES/machdyn/aluminum_strip_pull/in.aluminum_strip_pull`	0.6	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/machdyn/fluid_structure_interaction/in.fluid_structure_interaction`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/machdyn/funnel_flow/in.funnel_flow`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/machdyn/rubber_rings_3d/in.rubber_rings_3d`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`PACKAGES/machdyn/rubber_strip_pull/in.rubber_strip_pull`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
✗ failed	`PACKAGES/manybody_table/in.spce`	1.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 400 on (output row 4)
✗ failed	`PACKAGES/manybody_table/in.spce2`	1.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 400 on (output row 4)
✗ failed	`PACKAGES/manybody_table/in.spce_sw`	1.9	completed, 1 abs diff and 0 rel diff checks failed differs from step 1000 on (output row 10)
✗ failed	`PACKAGES/mbx/256h2o/in.256h2o`	23.1	completed, 4 abs diff and 3 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/mbx/256h2o_dipole/in.256h2o_dipole`	21.5	completed, 4 abs diff and 3 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/mbx/mof_ff_lammps+1_h2o_mbx/in.mof_1h2o`	15.5	completed, 2 abs diff and 0 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/mbx/na+_slab/in.na+_slab`	72.2	completed, 2 abs diff and 0 rel diff checks failed differs in the very first thermo output the run needs 72 s: a production sized run that should be shortened in the repository
✗ failed	`PACKAGES/meam_spline/in.meam-spline.Si`	1.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.17Dec2022.meam-spline.Si.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/meam_spline/in.meam-spline.TiO2`	32.0	completed, 12 abs diff and 10 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.17Dec2022.meam-spline.TiO2.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/meam_sw_spline/Si/in.bcc`	0.5
✗ failed	`PACKAGES/meam_sw_spline/Si/in.bcc_relax`	0.6	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`PACKAGES/meam_sw_spline/Si/in.dc`	0.6
✗ failed	`PACKAGES/meam_sw_spline/Si/in.dc_relax`	2.2	completed, 0 abs diff and 2 rel diff checks failed differs from step 136 on (output row 136)
✓ passed	`PACKAGES/meam_sw_spline/Si/in.energy_conservation.meam.sw`	4.3
✓ passed	`PACKAGES/meam_sw_spline/Si/in.fcc`	0.5
✗ failed	`PACKAGES/meam_sw_spline/Si/in.fcc_relax`	0.5	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`PACKAGES/meam_sw_spline/Si/in.hcp_relax`	2.1	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`PACKAGES/meam_sw_spline/Si/in.sc`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Si/in.sc_relax`	1.1
✓ passed	`PACKAGES/meam_sw_spline/Si/in.single_atom`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.alpha`	0.5
✗ failed	`PACKAGES/meam_sw_spline/Ti/in.alpha_relaxation`	0.9	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.beta`	0.6
✗ failed	`PACKAGES/meam_sw_spline/Ti/in.energy_conservation.meam.sw`	26.1	completed, 2 abs diff and 2 rel diff checks failed differs from step 140 on (output row 14)
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.fcc`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.hexagonal`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.omega`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.single_atom`	0.6
⚠ error	`PACKAGES/mesont/in.film_mesocnt`	4.2	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
✓ passed	`PACKAGES/mgpt/in.bcc0`	0.5	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.bcc0.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/mgpt/in.vac0-bcc`	0.6	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.vac0-bcc.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/mgpt/in.vacmin-bcc`	2.8
✓ passed	`PACKAGES/ml-runner/in.ml-runner.H2O`	1.1
⚠ error	`PACKAGES/mofff/in.hkust1`	0.6	failed, ERROR: Must use only Kokkos-enabled angle styles with angle_style hybrid/kk (src/KOKKOS/angle_hybrid_kokkos.cpp:204)
⚠ error	`PACKAGES/mofff/in.hkust1_long`	0.5	failed, ERROR: Must use only Kokkos-enabled angle styles with angle_style hybrid/kk (src/KOKKOS/angle_hybrid_kokkos.cpp:204)
✓ passed	`PACKAGES/momb/in.system`	9.0
⚠ error	`PACKAGES/moments/in.converge`	0.5	failed, ERROR on proc 0: cannot open eam/alloy potential file AlCu.eam.alloy: No such file or directory (src/potential_file_reader.cpp:58) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.converge.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`PACKAGES/moments/in.simple`	0.5	failed, ERROR on proc 0: cannot open eam/alloy potential file AlCu.eam.alloy: No such file or directory (src/potential_file_reader.cpp:58) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.simple.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`PACKAGES/moments/in.valtest`	0.5	failed, ERROR on proc 0: cannot open eam/alloy potential file AlCu.eam.alloy: No such file or directory (src/potential_file_reader.cpp:58) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.valtest.g++.4, which was written with 4 MPI processes instead of 2
○ skipped	`PACKAGES/momentum/in.momentum`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✓ passed	`PACKAGES/mop/in.compute_stress_mop`	0.5
✗ failed	`PACKAGES/neighbor-swap/in.KMC_pulse_center`	18.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 2)
✗ failed	`PACKAGES/neighbor-swap/in.KMC_pulse_edge`	18.2	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 2)
✓ passed	`PACKAGES/orient_eco/in.orient_eco`	46.6	the run needs 47 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/pace/compute/in.compute`	0.6
⚠ error	`PACKAGES/pace/in.pace.product`	0.5	failed, ERROR: Pair style pace/kk can currently only run on a single CPU thread (src/KOKKOS/pair_pace_kokkos.cpp:411)
⚠ error	`PACKAGES/pace/in.pace.recursive`	0.6	failed, ERROR: Pair style pace/kk can currently only run on a single CPU thread (src/KOKKOS/pair_pace_kokkos.cpp:411)
✗ failed	`PACKAGES/pafi/in.pafi`	3.3	completed, 2 abs diff and 3 rel diff checks failed differs from step 1100 on (output row 15)
✗ failed	`PACKAGES/pedone/in.pedone.melt`	8.3	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Apr24.pedone.melt.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/pedone/in.pedone.relax`	9.7	failed, thermo checks skipped due to mismatched number of steps in the log files
○ skipped	`PACKAGES/phonon/1-1D-mono/in.Ana`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/phonon/1-1D-mono/in.disp`	0.0	skipped as specified in the test configuration
✗ failed	`PACKAGES/phonon/2-1D-diatomic/in.Ana`	105.8	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) the run needs 106 s: a production sized run that should be shortened in the repository
○ skipped	`PACKAGES/phonon/2-1D-diatomic/in.disp`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.EAM3D`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.disp`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.disp2`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.dos`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/phonon/4-Graphene/in.disp`	0.0	skipped as specified in the test configuration
⚠ error	`PACKAGES/phonon/4-Graphene/in.graphene`	1.0	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
○ skipped	`PACKAGES/phonon/dynamical_matrix_command/Silicon/in.silicon`	0.5	completed, but no Step nor Loop in the output
○ skipped	`PACKAGES/pimd/langevin_metal_units/in.langevin.metal`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd/langevin_metal_units/in.pimd-langevin.metal`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd/langevin_reduced_units/in.lmp`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd/langevin_reduced_units_group/in.lmp`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd/para-h2/in.scp`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd/prot-hairpin/in.scp`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd_bosonic/harmonic_trap_langevin/in.lmp`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd_bosonic/harmonic_trap_nvt/in.lmp`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
✗ failed	`PACKAGES/plumed/in.peptide-plumed`	1.1	completed, 2 abs diff and 2 rel diff checks failed differs from step 10 on (output row 1)
⚠ error	`PACKAGES/pod/InP/in.fitpod.InP`	0.5	failed, ERROR: Cannot fit potential without data files. The data paths may not be valid. Please check the data paths in the POD data file. (src/ML-POD/fitpod_command.cpp:708)
⚠ error	`PACKAGES/pod/InP/in.pod.InP`	0.5	failed, ERROR: Pair style pod/kk can currently only run on a single CPU thread (src/KOKKOS/pair_pod_kokkos.cpp:91)
○ skipped	`PACKAGES/pod/Ta/in.fitpod`	0.6	completed, but no Step nor Loop in the output
⚠ error	`PACKAGES/pod/Ta/in.pod`	0.5	failed, ERROR: Pair style pod/kk can currently only run on a single CPU thread (src/KOKKOS/pair_pod_kokkos.cpp:91)
⚠ error	`PACKAGES/pod/Ta/in.pod.compute`	0.5	failed, ERROR: compute command does not support multi processors (src/ML-POD/compute_pod_atom.cpp:42)
✓ passed	`PACKAGES/ptm/in.ptm`	0.5
✗ failed	`PACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst`	31.0	completed, 5 abs diff and 5 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/qtb/alpha_quartz_qtb/in.alpha_quartz_qtb`	16.2	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/qtb/methane_qbmsst/in.methane_qbmsst`	25.9	completed, 5 abs diff and 5 rel diff checks failed differs from step 20 on (output row 1)
✗ failed	`PACKAGES/qtb/methane_qtb/in.methane_qtb`	7.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.30Nov23.methane_qtb.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/quip/in.gap`	1.3
✓ passed	`PACKAGES/quip/in.molecular`	0.6
✓ passed	`PACKAGES/quip/in.sw`	1.1
⚠ error	`PACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene`	0.5	failed, ERROR: Label maps are currently not supported with Kokkos (src/atom.cpp:2325)
⚠ error	`PACKAGES/reaction/nylon,6-6_melt/in.large_nylon_melt`	0.5	failed, ERROR: Label maps are currently not supported with Kokkos (src/atom.cpp:2325)
⚠ error	`PACKAGES/reaction/tiny_epoxy/in.tiny_epoxy.stabilized`	0.5	failed, ERROR: Label maps are currently not supported with Kokkos (src/atom.cpp:2325)
⚠ error	`PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized`	0.5	failed, ERROR: Label maps are currently not supported with Kokkos (src/atom.cpp:2325)
⚠ error	`PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized_variable_probability`	0.6	failed, ERROR: Label maps are currently not supported with Kokkos (src/atom.cpp:2325)
⚠ error	`PACKAGES/reaction/tiny_nylon/in.tiny_nylon.unstabilized`	0.6	failed, ERROR: Label maps are currently not supported with Kokkos (src/atom.cpp:2325)
⚠ error	`PACKAGES/reaction/tiny_nylon_json/in.tiny_nylon.stabilized`	0.5	failed, ERROR: Label maps are currently not supported with Kokkos (src/atom.cpp:2325)
⚠ error	`PACKAGES/reaction/tiny_nylon_wildcards/in.tiny_nylon.stabilized`	1.0	failed, ERROR: Label maps are currently not supported with Kokkos (src/atom.cpp:2325)
⚠ error	`PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized`	0.5	failed, ERROR: Label maps are currently not supported with Kokkos (src/atom.cpp:2325)
✗ failed	`PACKAGES/rhok/in.crystal`	9.3	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.22Sep2017.crystal.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/rhok/in.pinning`	9.6	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/rhok/in.setup`	7.9	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.22Sep2017.setup.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`PACKAGES/scafacos/in.scafacos`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.cw.ewald`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.cw.fmm`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.cw.p2nfft`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.cw.p3m`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.ewald`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.fmm`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.hsph.direct`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.hsph.fmm`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.hsph.p2nfft`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.p2nfft`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.p3m`	0.6	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
✗ failed	`PACKAGES/shock/hugoniostat/in.hugoniostat`	14.9	completed, 2 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 4) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.08Feb21.hugoniostat.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/shock/msst/in.msst`	2.1	completed, 5 abs diff and 5 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.08Feb21.msst.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/shock/nemd/in.nemd`	12.6	completed, 14 abs diff and 14 rel diff checks failed differs from step 1000 on (output row 2)
○ skipped	`PACKAGES/slater/in.slater`	7.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/smtbq/in.smatbAgCuPancake`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
○ skipped	`PACKAGES/smtbq/in.smatbBulkFCC`	0.6	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
○ skipped	`PACKAGES/smtbq/in.smtbq.Al`	2.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
○ skipped	`PACKAGES/smtbq/in.smtbq.Al2O3`	93.8	completed, numerical checks skipped due to missing the reference log file the run needs 94 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, .. ...
◴ timeout	`PACKAGES/smtbq/in.smtbq.TiO2`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
⚠ error	`PACKAGES/sna_nnn_slcsa/in.slcsa`	0.5	failed, ERROR: Invalid compute slcsa/atom argument: slcsa (src/EXTRA-COMPUTE/compute_slcsa_atom.cpp:115)
⚠ error	`PACKAGES/srp/in.srp`	1.1	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
⚠ error	`PACKAGES/srp_react/in.srp_react`	1.4	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
✓ passed	`PACKAGES/stressprofile/in.cylinder`	2.2
✓ passed	`PACKAGES/stressprofile/in.flat`	1.5
✓ passed	`PACKAGES/stressprofile/in.sphere`	1.4
✓ passed	`PACKAGES/symmetry/in.lj_binary_fcc_pinv`	0.6
✓ passed	`PACKAGES/symmetry/in.lj_diamond_pinv`	0.6
✓ passed	`PACKAGES/symmetry/in.lj_fcc_pinv`	0.5
✓ passed	`PACKAGES/symmetry/in.lj_pinv`	0.5	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27May26.lj_pinv.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/symmetry/in.lj_pm_wyckoff`	0.5	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27May26.lj_pm_wyckoff.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/symmetry/in.sic_c2`	0.6
⚠ error	`PACKAGES/tally/in.force`	0.7	failed, ERROR: Cannot yet use compute tally with Kokkos (src/pair.cpp:836)
⚠ error	`PACKAGES/tally/in.pe`	0.7	failed, ERROR: Cannot yet use compute tally with Kokkos (src/pair.cpp:836)
⚠ error	`PACKAGES/tally/in.stress`	0.6	failed, ERROR: Cannot yet use compute tally with Kokkos (src/pair.cpp:836)
○ skipped	`PACKAGES/temper_npt/in.temper_npt`	0.0	skipped, needs a multi-partition run ("temper/npt")
○ skipped	`PACKAGES/ti/in.ti_spring`	0.8	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/tmd/in.tmd`	2.1	completed, error parsing log.tmd.2 into YAML
✓ passed	`PACKAGES/uef/npt_biaxial/in.npt_biaxial`	5.1
✓ passed	`PACKAGES/uef/nvt_uniaxial/in.nvt_uniaxial`	5.0
✓ passed	`PACKAGES/uf3/in.uf3.Nb`	0.7
○ skipped	`PACKAGES/vtk/in.vtk`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/vtk/in.vtp`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/yaff/mil53al/in.mil53a`	10.0	completed, error parsing log.mil53a.2 into YAML
○ skipped	`PACKAGES/yaff/mof5/in.mof5`	2.9	completed, error parsing log.mof5.2 into YAML
⚠ error	`QUANTUM/LATTE/in.ch4`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.ch4.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.graphene`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.graphene.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.series`	0.5	failed, ERROR: MDI unable to connect to stand-alone engine (src/MDI/mdi_command.cpp:56)
⚠ error	`QUANTUM/LATTE/in.series.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.sucrose`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.sucrose.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.uo2`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.uo2.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.water`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.water.min`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.water.min.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.water.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/NWChem/in.series`	0.5	failed, ERROR: Cannot use mdi connect with plugin engine (src/MDI/mdi_command.cpp:58)
⚠ error	`QUANTUM/NWChem/in.series.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
○ skipped	`QUANTUM/NWChem/in.water.mm`	0.6	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.22Mar23.series.plugin.w.bcc.1, log.22Mar23.series.plugin.w.diamond.1, log.22Mar23.series.plugin.w.sc_001.1, ... in this folder match no input script ...
⚠ error	`QUANTUM/NWChem/in.water.qmmm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/NWChem/in.water.qmmm.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
○ skipped	`QUANTUM/NWChem/in.zeolite.mm`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.22Mar23.series.plugin.w.bcc.1, log.22Mar23.series.plugin.w.diamond.1, log.22Mar23.series.plugin.w.sc_001.1, ... in this folder match no input script ...
⚠ error	`QUANTUM/NWChem/in.zeolite.qmmm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/NWChem/in.zeolite.qmmm.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
✗ failed	`QUANTUM/PySCF/in.mixture.mm`	0.7	completed, 1 abs diff and 0 rel diff checks failed differs in the very first thermo output
⚠ error	`QUANTUM/PySCF/in.mixture.qmmm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/PySCF/in.mixture.qmmm.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/PySCF/in.water.qmmm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/PySCF/in.water.qmmm.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
✗ failed	`SPIN/bfo/in.spin.bfo`	2.7	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`SPIN/cobalt_fcc/in.spin.cobalt_fcc`	2.7	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.cobalt_fcc.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`SPIN/cobalt_hcp/in.spin.cobalt_hcp`	2.1	completed, 4 abs diff and 4 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.cobalt_hcp.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`SPIN/dipole_spin/in.spin.iron_dipole_cut`	2.4	completed, 1 abs diff and 1 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron_dipole_cut.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`SPIN/dipole_spin/in.spin.iron_dipole_ewald`	4.5	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron_dipole_ewald.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`SPIN/dipole_spin/in.spin.iron_dipole_pppm`	4.1	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron_dipole_pppm.g++.4, which was written with 4 MPI processes instead of 2
○ skipped	`SPIN/gneb/iron/in.gneb.iron`	0.0	skipped, needs a multi-partition run ("fix 3 all neb/spin")
○ skipped	`SPIN/gneb/skyrmion/in.gneb.skyrmion`	0.0	skipped, needs a multi-partition run ("fix 3 all neb/spin")
✗ failed	`SPIN/iron/in.spin.iron`	1.5	completed, 4 abs diff and 4 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`SPIN/iron/in.spin.iron_cubic`	1.7	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron_cubic.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`SPIN/nickel/in.spin.nickel`	2.6	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.nickel.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`SPIN/nickel/in.spin.nickel_cubic`	2.2	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.nickel_cubic.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`SPIN/read_restart/in.spin.read_data`	2.0
✗ failed	`SPIN/read_restart/in.spin.restart`	0.9	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output
✗ failed	`SPIN/read_restart/in.spin.write_restart`	1.4	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
⚠ error	`SPIN/setforce_spin/in.spin.setforce`	0.5	failed, ERROR: Must use a Kokkos-enabled min style (e.g. min_style cg/kk) with Kokkos minimize (src/min.cpp:112)
⚠ error	`SPIN/spinmin/in.spin.bfo_min`	0.5	failed, ERROR: Must use a Kokkos-enabled min style (e.g. min_style cg/kk) with Kokkos minimize (src/min.cpp:112)
⚠ error	`SPIN/spinmin/in.spin.bfo_min_cg`	0.5	failed, ERROR: Must use a Kokkos-enabled min style (e.g. min_style cg/kk) with Kokkos minimize (src/min.cpp:112)
⚠ error	`SPIN/spinmin/in.spin.bfo_min_lbfgs`	0.5	failed, ERROR: Must use a Kokkos-enabled min style (e.g. min_style cg/kk) with Kokkos minimize (src/min.cpp:112)
⚠ error	`SPIN/spinmin/in.spin.iron_min`	0.5	failed, ERROR: Must use a Kokkos-enabled min style (e.g. min_style cg/kk) with Kokkos minimize (src/min.cpp:112)
⚠ error	`SPIN/test_problems/validation_nve/in.spin.iron-nve`	0.5	failed, ERROR: Illegal sectoring operation resulting in 4 sectors instead of 8 (src/SPIN/fix_nve_spin.cpp:609) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11Mar25.spin.iron-nve.g++.1, which was written with 1 MPI processes instead of 2
⚠ error	`SPIN/test_problems/validation_nvt/in.spin.nvt_lattice`	0.5	failed, ERROR: Illegal sectoring operation resulting in 4 sectors instead of 8 (src/SPIN/fix_nve_spin.cpp:609) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11Mar25.spin.nvt_lattice.g++.1, which was written with 1 MPI processes instead of 2
⚠ error	`SPIN/test_problems/validation_nvt/in.spin.nvt_spin`	0.5	failed, ERROR: Illegal sectoring operation resulting in 4 sectors instead of 8 (src/SPIN/fix_nve_spin.cpp:609) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11Mar25.spin.nvt_spin.g++.1, which was written with 1 MPI processes instead of 2
✗ failed	`UNITS/in.ar.lj`	0.5	completed, 3 abs diff and 3 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.8Oct19.ar.lj.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`UNITS/in.ar.metal`	0.5	completed, 3 abs diff and 3 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.8Oct19.ar.metal.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`UNITS/in.ar.real`	0.5	completed, 3 abs diff and 3 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.8Oct19.ar.real.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`VISCOSITY/in.cos.1000SPCE`	1.1	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
✗ failed	`VISCOSITY/in.einstein.2d`	179.1	completed, 6 abs diff and 6 rel diff checks failed differs from step 2000 on (output row 1), but the thermo output is too sparse to tell when it started velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Oct16.einstein.2d.g++.1, which was written with 1 MPI processes instead of 2; the run needs 179 s: a product ...
✗ failed	`VISCOSITY/in.gk.2d`	178.7	completed, 5 abs diff and 5 rel diff checks failed differs from step 2000 on (output row 1), but the thermo output is too sparse to tell when it started velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Oct16.gk.2d.g++.1, which was written with 1 MPI processes instead of 2; the run needs 179 s: a production si ...
✗ failed	`VISCOSITY/in.mp.2d`	27.6	completed, 7 abs diff and 7 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Oct16.mp.2d.g++.1, which was written with 1 MPI processes instead of 2
✗ failed	`VISCOSITY/in.nemd.2d`	55.2	completed, 8 abs diff and 8 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Feb26.nemd.2d.g++.1, which was written with 1 MPI processes instead of 2; the run needs 55 s: a production si ...
✗ failed	`VISCOSITY/in.wall.2d`	29.9	completed, 4 abs diff and 4 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Oct16.wall.2d.g++.1, which was written with 1 MPI processes instead of 2
✓ passed	`airebo/in.airebo`	25.4
✓ passed	`airebo/in.airebo-0-0`	2.4
✓ passed	`airebo/in.airebo-bc`	24.7
✓ passed	`airebo/in.airebo-m`	26.8
✓ passed	`airebo/in.rebo2`	2.6
⚠ error	`amoeba/in.ubiquitin`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`amoeba/in.water_box.amoeba`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`amoeba/in.water_box.hippo`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`amoeba/in.water_dimer.amoeba`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`amoeba/in.water_dimer.hippo`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`amoeba/in.water_hexamer.amoeba`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`amoeba/in.water_hexamer.hippo`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
✓ passed	`atm/in.atm`	5.5
✗ failed	`balance/in.balance`	2.9	completed, 2 abs diff and 2 rel diff checks failed differs from step 6200 on (output row 62)
✗ failed	`balance/in.balance.bond.fast`	4.4	completed, 2 abs diff and 2 rel diff checks failed differs from step 2200 on (output row 22)
✓ passed	`balance/in.balance.bond.slow`	13.1
✗ failed	`balance/in.balance.clock.dynamic`	5.1	completed, 11 abs diff and 12 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.clock.dynamic.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.clock.static`	2.2	completed, 9 abs diff and 9 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.clock.static.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.group.dynamic`	1.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.group.dynamic.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.group.static`	1.1	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.group.static.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.kspace`	3.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.kspace.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.neigh.dynamic`	4.2	completed, 11 abs diff and 12 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.neigh.dynamic.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.neigh.rcb`	1.6	completed, 6 abs diff and 6 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.neigh.rcb.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.neigh.static`	3.0	completed, 14 abs diff and 15 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.neigh.static.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.var.dynamic`	6.4	completed, 11 abs diff and 12 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.var.dynamic.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`body/in.body`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`body/in.cubes`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`body/in.pour3d`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`body/in.squares`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`body/in.wall2d`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`bpm/impact/in.bpm.impact.rotational`	1.1	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`bpm/impact/in.bpm.impact.spring`	1.1	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
⚠ error	`bpm/metamaterial/in.bpm.metamaterial`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`bpm/peri/benchmark/in.bench.bpm.pmb`	5.8	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
⚠ error	`bpm/peri/benchmark/in.bench.legacy.pmb`	1.0	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`bpm/peri/in.bpm.peri.eps`	2.4	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
⚠ error	`bpm/peri/in.bpm.peri.lps`	1.1	failed, ERROR: Fix ID dmg for compute reduce does not exist (src/compute_reduce.cpp:309)
⚠ error	`bpm/peri/in.bpm.peri.pmb`	1.1	failed, ERROR: Fix ID dmg for compute reduce does not exist (src/compute_reduce.cpp:309)
⚠ error	`bpm/peri/in.bpm.peri.ves`	1.1	failed, ERROR: Fix ID dmg for compute reduce does not exist (src/compute_reduce.cpp:309)
⚠ error	`bpm/plasticity/in.bpm.plasticity`	3.6	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ... velocity create with the default "loop all" and atoms from create_atoms: cannot match log.19Nov2024.bpm.plasticity.g++.1, which was written with 1 MPI processes instead of 2
⚠ error	`bpm/poissons_ratio/in.bpm.poissons_ratio`	0.5	failed, ERROR: Fix wall/region/kk requires region style block/kk or sphere/kk (src/KOKKOS/fix_wall_region_kokkos.cpp:68) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.19Nov2024.bpm.poissons_ratio.g++.1, which was written with 1 MPI processes instead of 2
⚠ error	`bpm/pour/in.bpm.pour`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`bpm/wires/in.bpm.wires`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.16Apr2026.bpm.wires.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`charmmfsw/in.charmmfsw`	10.0	completed, 2 abs diff and 0 rel diff checks failed differs from step 20 on (output row 2)
✗ failed	`cmap/in.cmap`	5.8	completed, 1 abs diff and 1 rel diff checks failed differs from step 9000 on (output row 9)
⚠ error	`colloid/in.colloid`	0.5	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
✗ failed	`comb/in.comb.Cu`	0.5	completed, 2 abs diff and 2 rel diff checks failed differs from step 1 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.comb.Cu.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`comb/in.comb.Cu2O.elastic`	7.4
✓ passed	`comb/in.comb.HfO2`	1.9
✗ failed	`comb/in.comb.Si`	0.6	completed, 2 abs diff and 2 rel diff checks failed differs from step 1 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.comb.Si.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`comb/in.comb.Si.elastic`	0.7	failed, thermo checks skipped due to mismatched number of steps in the log files velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.comb.Si.elastic.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`comb/in.comb3`	5.9
✗ failed	`controller/in.controller.temp`	3.1	completed, 6 abs diff and 6 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`controller/in.controller.wall`	9.4	completed, 2 abs diff and 2 rel diff checks failed differs from step 500 on (output row 1)
✗ failed	`coreshell/in.coreshell`	4.8	completed, 8 abs diff and 9 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`coreshell/in.coreshell.dsf`	8.5	completed, 10 abs diff and 10 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`coreshell/in.coreshell.thermostats`	5.8	completed, 13 abs diff and 14 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`coreshell/in.coreshell.wolf`	10.6	completed, 10 abs diff and 10 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`crack/in.crack`	3.4	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.crack.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`deposit/in.deposit.atom`	5.4	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output
✗ failed	`deposit/in.deposit.molecule`	5.8	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`deposit/in.deposit.molecule.rigid-nve-small`	21.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`deposit/in.deposit.molecule.rigid-nvt-small`	22.2	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`deposit/in.deposit.molecule.rigid-small`	20.8	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`deposit/in.deposit.molecule.shake`	9.2	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`dipole/in.charge_dipole`	10.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.26Jun26.charge_dipole.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`dipole/in.dipole`	1.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 2000 on (output row 4) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.dipole.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`dreiding/in.dreiding`	0.5	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
✗ failed	`eim/in.eim`	1.8	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`ellipse/in.ellipse.gayberne`	1.3	completed, 2 abs diff and 2 rel diff checks failed differs from step 2500 on (output row 26)
✗ failed	`ellipse/in.ellipse.resquared`	1.6	completed, 0 abs diff and 2 rel diff checks failed differs from step 3800 on (output row 39)
✗ failed	`fire/in.abcfire`	4.6	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`fire/in.abcfire_mod`	4.6	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`fire/in.cg`	1.8	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`fire/in.fire`	4.3	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`fire/in.fire_mod`	4.9	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`fire/in.meam.abcfire`	17.3
✓ passed	`fire/in.meam.fire`	23.8
○ skipped	`fire/in.neb.sivac.abcfire`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`fire/in.neb.sivac.abcfire_mod`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`fire/in.neb.sivac.fire`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`fire/in.neb.sivac.fire_mod`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`fire/in.neb.sivac.qm`	0.0	skipped, needs a multi-partition run ("variable u uloop")
✗ failed	`flow/in.flow.couette`	3.9	completed, 2 abs diff and 2 rel diff checks failed differs from step 2500 on (output row 5) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.flow.couette.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`flow/in.flow.pois`	3.8	completed, 2 abs diff and 2 rel diff checks failed differs from step 3500 on (output row 7) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.flow.pois.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`friction/in.friction`	8.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.friction.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`gjf/in.gjf.vfull`	18.1	completed, 6 abs diff and 6 rel diff checks failed differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
✗ failed	`gjf/in.gjf.vhalf`	18.4	completed, 6 abs diff and 6 rel diff checks failed differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
⚠ error	`granregion/in.granregion.box`	0.5	failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60)
⚠ error	`granregion/in.granregion.funnel`	0.5	failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60)
⚠ error	`granregion/in.granregion.mixer`	0.5	failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60)
⚠ error	`gransurf/in.line.gran.data`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`gransurf/in.line.gran.global`	0.5	failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60)
⚠ error	`gransurf/in.line.gran.surf`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`gransurf/in.screwfeeder.local`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`gransurf/in.tri.gran.data`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`gransurf/in.tri.gran.global`	0.5	failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60)
⚠ error	`gransurf/in.tri.gran.global.stl`	0.5	failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60)
⚠ error	`gransurf/in.tri.gran.surf`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`gransurf/in.tri.gran.surf.stl`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`gransurf/in.tribox.gran.data`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`gransurf/in.tribox.gran.global`	0.5	failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60)
⚠ error	`gransurf/in.tribox.gran.global.stl`	0.5	failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60)
⚠ error	`gransurf/in.tribox.gran.surf`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`gransurf/in.tribox.gran.surf.stl`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`granular/in.pour.drum`	0.5	failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60)
⚠ error	`granular/in.pour.flatwall`	0.5	failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60)
⚠ error	`granular/in.pour.heat`	0.5	failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60)
✓ passed	`granular/in.restitution`	16.2
⚠ error	`granular/in.sync_verlet`	0.5	failed, ERROR: Illegal wall/gran command, unrecognized damping model (src/KOKKOS/fix_wall_gran_old.cpp:203)
✓ passed	`granular/in.tableting.200`	12.8
✓ passed	`granular/in.triaxial.compaction.12`	1.9
✓ passed	`grid/in.grid.2d`	0.7
✓ passed	`grid/in.grid.3d`	0.9
⚠ error	`grid/in.sph`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
✗ failed	`hyper/in.hyper.global`	66.9	completed, 304 abs diff and 304 rel diff checks failed differs from step 100 on (output row 1) the run needs 67 s: a production sized run that should be shortened in the repository
✗ failed	`hyper/in.hyper.local`	7.0	failed, thermo checks skipped due to mismatched log files after the first run
✗ failed	`indent/in.indent`	21.7	completed, 6 abs diff and 6 rel diff checks failed differs from step 16000 on (output row 16) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.indent.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`indent/in.indent.min`	1.2	failed, thermo checks skipped due to mismatched number of steps in the log files
⚠ error	`kim/in.kim-ex.melt`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init LennardJones_Ar real (src/input.cpp:308)
⚠ error	`kim/in.kim-pm-property`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init LJ_Shifted_Bernardes_1958MedCutoff_Ar__MO_126566794224_004 metal (src/input.cpp:308)
⚠ error	`kim/in.kim-pm-query.melt`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init SW_StillingerWeber_1985_Si__MO_405512056662_005 real (src/input.cpp:308)
⚠ error	`kim/in.kim-pm.melt`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init SW_StillingerWeber_1985_Si__MO_405512056662_005 real (src/input.cpp:308)
⚠ error	`kim/in.kim-query`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005 metal (src/input.cpp:308)
⚠ error	`kim/in.kim-sm.melt`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_000 real (src/input.cpp:308)
✓ passed	`kim/in.lammps.melt`	0.9
⚠ error	`mc/in.gcmc.co2`	57.5	failed, ERROR on proc 0: rank 0 nlocal_body: 3 vs 4 velocity create with the default "loop all" and atoms from create_atoms: cannot match log.30Mar26.gcmc.co2.g++.4, which was written with 4 MPI processes instead of 2; the run needs 57 s: a production ...
✗ failed	`mc/in.gcmc.h2o`	74.6	completed, 6 abs diff and 6 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.30Mar26.gcmc.h2o.g++.4, which was written with 4 MPI processes instead of 2; the run needs 75 s: a production ...
✗ failed	`mc/in.gcmc.lj`	13.2	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
✗ failed	`mc/in.gcmc.region`	7.7	completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`mc/in.gcmc.restart`	8.8	completed, 18 abs diff and 18 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.30Mar26.gcmc.restart.g++.4, which was written with 4 MPI processes instead of 2
○ skipped	`mc/in.gemc.lj`	0.0	skipped, needs a multi-partition run ("partition")
✗ failed	`mc/in.hmc.flexible.melt`	29.2	completed, 4 abs diff and 6 rel diff checks failed differs from step 950 on (output row 19)
⚠ error	`mc/in.hmc.rigid`	4.7	failed, ERROR on proc 0: rank 0 nlocal_body: 65 vs 34
✗ failed	`mc/in.mixed`	50.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) the run needs 51 s: a production sized run that should be shortened in the repository
✗ failed	`mc/in.pure`	54.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) the run needs 54 s: a production sized run that should be shortened in the repository
⚠ error	`mc/in.sgcmc.eam`	1.7	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ... velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Dec22.sgcmc.eam.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`mc/in.widom.lj`	2.7	completed, 4 abs diff and 4 rel diff checks failed differs from step 10 on (output row 1)
⚠ error	`mc/in.widom.spce`	0.5	failed, ERROR: fix widom does currently not support full_energy option with molecules on more than 1 MPI process. (src/MC/fix_widom.cpp:463)
✓ passed	`mdi/in.aimd.alone`	0.5
⚠ error	`mdi/in.aimd.driver`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.aimd.driver.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.aimd.engine`	0.4	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
⚠ error	`mdi/in.aimdpy.mm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
⚠ error	`mdi/in.aimdpy.qm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
⚠ error	`mdi/in.sequence.python`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
✓ passed	`mdi/in.series.alone`	0.5
⚠ error	`mdi/in.series.driver`	0.5	failed, ERROR: Cannot use mdi connect with plugin engine (src/MDI/mdi_command.cpp:58)
⚠ error	`mdi/in.series.driver.plugin`	0.6	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.series.engine`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
✓ passed	`mdi/in.snapshot.alone`	0.6
⚠ error	`mdi/in.snapshot.driver`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.snapshot.driver.plugin`	1.0	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.snapshot.engine`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
✓ passed	`meam/in.meam`	1.3
✗ failed	`meam/in.meam.shear`	29.4	completed, 4 abs diff and 4 rel diff checks failed differs from step 25 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.meam.shear.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`meam/msmeam/in.msmeam`	0.5
✓ passed	`melt/in.melt`	0.6
⚠ error	`mesh/in.marble_race`	1.2	failed, ERROR: Cannot (yet) use cylinder-style region with fix oneway/kk (src/KOKKOS/fix_oneway_kokkos.cpp:55) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11May22.marble_race.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`mesh/in.mesh_box`	5.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 200 on (output row 2) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11May22.mesh_box.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`micelle/in.micelle`	1.2	completed, 0 abs diff and 1 rel diff checks failed differs from step 1000 on (output row 41)
⚠ error	`micelle/in.micelle-rigid`	1.0	failed, ERROR: fix rigid/small/kk does not yet support 2d systems (src/KOKKOS/fix_rigid_small_kokkos.cpp:143)
✗ failed	`min/in.min`	0.8	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`min/in.min.box`	5.7	failed, thermo checks skipped due to mismatched number of steps in the log files velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.min.box.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`mliap/in.mliap.ace.compute`	0.5	failed, ERROR: Cannot (yet) use KOKKOS package with ACE descriptors (src/ML-IAP/compute_mliap.cpp:109)
✓ passed	`mliap/in.mliap.nn.Cu`	2.0
✓ passed	`mliap/in.mliap.nn.Ta06A`	0.9
⚠ error	`mliap/in.mliap.pytorch.Ta06A`	0.5	failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/KOKKOS/pair_mliap_kokkos.cpp:189)
⚠ error	`mliap/in.mliap.pytorch.ace`	0.5	failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/KOKKOS/pair_mliap_kokkos.cpp:189)
⚠ error	`mliap/in.mliap.pytorch.ace.NN`	0.5	failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/KOKKOS/pair_mliap_kokkos.cpp:189)
⚠ error	`mliap/in.mliap.pytorch.relu1hidden`	1.0	failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/KOKKOS/pair_mliap_kokkos.cpp:189)
⚠ error	`mliap/in.mliap.quadratic.compute`	0.5	failed, ERROR: Cannot (yet) use KOKKOS package with SNAP descriptors (src/ML-IAP/compute_mliap.cpp:99)
✓ passed	`mliap/in.mliap.snap.Ta06A`	1.0
✓ passed	`mliap/in.mliap.snap.WBe.PRB2019`	1.7
✓ passed	`mliap/in.mliap.snap.chem`	6.2
⚠ error	`mliap/in.mliap.snap.compute`	0.5	failed, ERROR: Cannot (yet) use KOKKOS package with SNAP descriptors (src/ML-IAP/compute_mliap.cpp:99)
✓ passed	`mliap/in.mliap.snap.quadratic`	1.1
○ skipped	`mliap/in.mliap.so3.Ni_Mo`	0.5	completed, but no Step nor Loop in the output
✓ passed	`mliap/in.mliap.so3.nn.Si`	1.3
⚠ error	`mliap/in.mliap.unified.lj.Ar`	0.5	failed, ERROR: Could not process Python string:
⚠ error	`mliap/jax/in.run`	1.0	failed, ERROR: Using pair_style mliap unified requires ML-IAP with python support (src/KOKKOS/pair_mliap_kokkos.cpp:219)
⚠ error	`multi/in.colloid`	0.5	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
✗ failed	`multi/in.granular`	3.3	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`multi/in.powerlaw`	2.0	failed, thermo checks skipped due to mismatched number of steps in the log files
⚠ error	`nb3b/in.nb3b`	1.2	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
✗ failed	`nb3b/in.nb3b.screened`	19.2	completed, 4 abs diff and 3 rel diff checks failed differs from step 700 on (output row 7)
○ skipped	`neb/in.neb.hop1`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`neb/in.neb.hop1.end`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`neb/in.neb.hop2`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`neb/in.neb.sivac`	0.0	skipped, needs a multi-partition run ("variable u uloop")
✓ passed	`nemd/in.nemd`	0.7
✗ failed	`numdiff/in.numdiff`	10.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.19Feb2022.numdiff.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`obstacle/in.obstacle`	10.1	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.obstacle.g++.4, which was written with 4 MPI processes instead of 2
○ skipped	`peptide/in.peptide`	2.2	completed, error parsing log.peptide.2 into YAML
⚠ error	`peri/in.peri-pmb`	1.0	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`peri/in.peri.eps`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`peri/in.peri.lps`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`peri/in.peri.pmb`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`peri/in.peri.ves`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`pour/in.pour`	0.5	failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60)
⚠ error	`pour/in.pour.2d`	0.6	failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60)
⚠ error	`pour/in.pour.2d.molecule`	0.5	failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60)
○ skipped	`prd/in.prd`	0.0	skipped, needs a multi-partition run ("prd")
⚠ error	`python/in.fix_python_invoke`	0.6	failed, ERROR: Could not process Python string: velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.fix_python_invoke.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`python/in.fix_python_invoke_neighlist`	0.6	failed, ERROR: Could not process Python string:
⚠ error	`python/in.fix_python_move_nve_melt`	0.5	failed, ERROR: Loading python integrator module failure (src/PYTHON/fix_python_move.cpp:64)
⚠ error	`python/in.fix_python_move_nve_melt_group`	0.5	failed, ERROR: Loading python integrator module failure (src/PYTHON/fix_python_move.cpp:64)
⚠ error	`python/in.fix_python_move_nve_melt_opt`	0.6	failed, ERROR: Loading python integrator module failure (src/PYTHON/fix_python_move.cpp:64)
✓ passed	`python/in.pair_python_coulomb`	1.3
✗ failed	`python/in.pair_python_harmonic`	13.0	completed, 12 abs diff and 12 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Mar22.pair_python_harmonic.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`python/in.pair_python_hybrid`	4.9	completed, 8 abs diff and 9 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.pair_python_hybrid.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`python/in.pair_python_long`	2.9
✗ failed	`python/in.pair_python_melt`	9.9	completed, 8 abs diff and 9 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.pair_python_melt.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`python/in.pair_python_spce`	5.1
✗ failed	`python/in.pair_python_table`	0.7	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.pair_python_table.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`python/in.python`	0.5	failed, ERROR on proc 0: Python evaluation of function loop failed (src/PYTHON/python_impl.cpp:416)
✓ passed	`python/in.python.wrap`	0.5
✗ failed	`qeq/in.qeq.buck`	11.9	completed, 1 abs diff and 0 rel diff checks failed differs from step 0 on (output row 45)
✓ passed	`qeq/in.qeq.reaxff`	0.6
✗ failed	`rdf-adf/in.spce`	45.3	completed, 6 abs diff and 5 rel diff checks failed differs from step 300 on (output row 3) the run needs 45 s: a production sized run that should be shortened in the repository
✗ failed	`rdf-adf/in.spce.hbond`	38.2	completed, 5 abs diff and 4 rel diff checks failed differs from step 400 on (output row 4)
✗ failed	`reaxff/AB/in.AB`	11.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/AuO/in.AuO`	3.6	completed, 2 abs diff and 1 rel diff checks failed differs from step 5 on (output row 1)
✗ failed	`reaxff/CHO/in.CHO`	14.0	completed, 3 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`reaxff/FC/in.FC`	3.6	completed, 1 abs diff and 0 rel diff checks failed differs from step 11 on (output row 12)
✗ failed	`reaxff/FeOH3/in.FeOH3`	10.2	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/HNS/in.reaxff.hns`	4.9	completed, 1 abs diff and 1 rel diff checks failed differs from step 10 on (output row 1)
✗ failed	`reaxff/RDX/in.RDX`	13.7	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/VOH/in.VOH`	8.4	completed, 3 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/ZnOH2/in.ZnOH2`	3.6	completed, 3 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`reaxff/ci-reaxFF/in.ci-reax.CH`	10.4
✗ failed	`reaxff/in.reaxff.rdx`	1.0	completed, 3 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`reaxff/in.reaxff.rdx-shielded`	0.7	completed, 3 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`reaxff/in.reaxff.tatb`	1.2	completed, 1 abs diff and 0 rel diff checks failed differs in the very first thermo output
✗ failed	`reaxff/in.reaxff.tatb-shielded`	1.4	completed, 1 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`reaxff/water/in.water.acks2`	3.6	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✗ failed	`reaxff/water/in.water.acks2.field`	5.1	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✓ passed	`reaxff/water/in.water.qeq`	1.7
✓ passed	`reaxff/water/in.water.qeq.field`	1.6
⚠ error	`reaxff/water/in.water.qeqr`	1.0	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
⚠ error	`reaxff/water/in.water.qeqr.field`	1.1	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
⚠ error	`reaxff/water/in.water.qtpie`	1.1	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
⚠ error	`reaxff/water/in.water.qtpie.field`	1.1	failed, no Total wall time in the output, Kokkos::OpenMP::initialize WARNING: OMP_PROC_BIND environment variable not set In general, for best performance with OpenMP 4.0 or better set OMP_PROC_BIND=sp ...
✓ passed	`relres/in.22DMH.real`	20.9
✓ passed	`relres/in.22DMH.relres`	5.0
✓ passed	`relres/in.22DMH.respa`	3.9
✗ failed	`replicate/in.replicate.bond.x`	2.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
✗ failed	`replicate/in.replicate.bond.x.noloop`	2.2	completed, 3 abs diff and 3 rel diff checks failed differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
✓ passed	`replicate/in.replicate.bond.x.y`	2.6
✓ passed	`replicate/in.replicate.bond.xy`	2.3
✓ passed	`replicate/in.replicate.cnt`	3.4
✗ failed	`rerun/in.first`	4.8	completed, 0 abs diff and 1 rel diff checks failed differs from step 1000 on (output row 10)
✗ failed	`rerun/in.rdf.first`	4.9	completed, 0 abs diff and 1 rel diff checks failed differs from step 1000 on (output row 10)
✗ failed	`rerun/in.rdf.rerun`	2.0	completed, 0 abs diff and 1 rel diff checks failed differs from step 1000 on (output row 10) (last OK: 2026-08-05T06-03-33Z_2ee1cb1a02)
✓ passed	`rerun/in.read_dump`	0.7
✓ passed	`rerun/in.rerun`	0.6
⚠ error	`rheo/balloon/in.rheo.balloon`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`rheo/dam-break/in.rheo.dam.break`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`rheo/ice-cubes/in.rheo.ice.cubes`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`rheo/oxidation/in.rheo.oxidation`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`rheo/poiseuille/in.rheo.poiseuille`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`rheo/taylor-green/in.rheo.taylor.green`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
✓ passed	`rigid/in.rigid`	3.2
✓ passed	`rigid/in.rigid.atomfile`	3.3
✓ passed	`rigid/in.rigid.atomvar`	3.7
✓ passed	`rigid/in.rigid.cubes`	2.8
✓ passed	`rigid/in.rigid.cubes.gravity`	2.6
✗ failed	`rigid/in.rigid.cubes.langevin`	2.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 200 on (output row 1)
○ skipped	`rigid/in.rigid.cubes.multirun`	0.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.20Mar22.rigid.rigid.molecule.g++.1, log.20Mar22.rigid.rigid.molecule.g++.4, log.rigid.cubes.gravity.1, ... in this folder match no input script at a ...
✗ failed	`rigid/in.rigid.cubes.nph`	3.2	completed, 0 abs diff and 4 rel diff checks failed differs from step 600 on (output row 3)
✗ failed	`rigid/in.rigid.cubes.npt`	3.3	completed, 0 abs diff and 4 rel diff checks failed differs from step 600 on (output row 3)
✓ passed	`rigid/in.rigid.cubes.nve`	2.8
✓ passed	`rigid/in.rigid.cubes.nvt`	2.7
✓ passed	`rigid/in.rigid.cubes.partial`	1.7
✓ passed	`rigid/in.rigid.cubes.tri`	2.8
✗ failed	`rigid/in.rigid.dipoles`	0.9	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✓ passed	`rigid/in.rigid.early`	3.5
✓ passed	`rigid/in.rigid.ellipsoids`	1.2
⚠ error	`rigid/in.rigid.gravity`	0.5	failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60)
✓ passed	`rigid/in.rigid.infile`	3.5
✓ passed	`rigid/in.rigid.molecule`	3.7
✗ failed	`rigid/in.rigid.nve`	3.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`rigid/in.rigid.nve.early`	3.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`rigid/in.rigid.property`	3.2
✓ passed	`rigid/in.rigid.small`	4.8
✓ passed	`rigid/in.rigid.small.infile`	5.4
○ skipped	`rigid/in.rigid.small.kk`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.20Mar22.rigid.rigid.molecule.g++.1, log.20Mar22.rigid.rigid.molecule.g++.4, log.rigid.cubes.gravity.1, ... in this folder match no input script at a ...
✗ failed	`rigid/in.rigid.spheres`	1.0	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✗ failed	`rigid/in.rigid.tnr`	14.0	completed, 28 abs diff and 28 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`shear/in.shear`	2.9	completed, 5 abs diff and 5 rel diff checks failed differs from step 25 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.shear.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`shear/in.shear.void`	2.8	completed, 5 abs diff and 4 rel diff checks failed differs from step 25 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.shear.void.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`snap/in.C_SNAP`	4.4	completed, 4 abs diff and 4 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`snap/in.gaussian.grid`	0.5
✓ passed	`snap/in.snap.InP.JCPA2020`	3.0
✓ passed	`snap/in.snap.Mo_Chen`	0.7
✓ passed	`snap/in.snap.Ta06A`	0.7
✓ passed	`snap/in.snap.W.2940`	1.0
✓ passed	`snap/in.snap.WBe.PRB2019`	1.0
○ skipped	`snap/in.snap.compute`	0.5	completed, but no Step nor Loop in the output
○ skipped	`snap/in.snap.compute.quadratic`	0.5	completed, but no Step nor Loop in the output
○ skipped	`snap/in.snap.grid`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
○ skipped	`snap/in.snap.grid.triclinic`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
✓ passed	`snap/in.snap.hybrid.WSNAP.HePair`	1.0
○ skipped	`snap/in.snap.scale.Ni_Zuo_JCPA2020`	1.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
⚠ error	`srd/in.srd.mixture`	1.3	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
✗ failed	`srd/in.srd.pure`	2.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`steinhardt/in.bcc`	0.5
✓ passed	`steinhardt/in.fcc`	0.5
✗ failed	`steinhardt/in.icos`	1.2	failed, thermo checks skipped due to mismatched number of steps in the log files velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Sept18.icos.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`streitz/in.ctip`	104.3	the run needs 104 s: a production sized run that should be shortened in the repository
○ skipped	`streitz/in.gan`	1.2	completed, numerical checks skipped due to missing the reference log file
✗ failed	`streitz/in.streitz.ewald`	27.8	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✗ failed	`streitz/in.streitz.wolf`	36.8	failed, mismatched columns in the log files
✗ failed	`stress_vcm/in.stress_vcm`	6.5	completed, 7 abs diff and 7 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.19Nov24.stress_vcm.g++.4, which was written with 4 MPI processes instead of 2
○ skipped	`tad/in.tad`	0.0	skipped, needs a multi-partition run ("tad")
⚠ error	`template/in.hybrid`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
✗ failed	`template/in.mol-data-mix`	5.8	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`template/in.mol-restart-mix`	13.0	completed, 8 abs diff and 8 rel diff checks failed differs in the very first thermo output
✗ failed	`template/in.molecular-mix`	7.7	completed, 5 abs diff and 5 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.22Oct20.molecular-mix.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`template/in.template-mix`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.22Oct20.template-mix.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`template/in.tmpl-data-mix`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`template/in.tmpl-restart-mix`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:559)
⚠ error	`tersoff/in.hBN_shift`	0.5	failed, ERROR: Keyword 'shift' not supported for this style (src/MANYBODY/pair_tersoff.cpp:362)
⚠ error	`tersoff/in.tersoff`	0.7	failed, ERROR: Keyword 'shift' not supported for this style (src/MANYBODY/pair_tersoff.cpp:362)
✓ passed	`threebody/in.mos2-bulk`	0.5
✓ passed	`threebody/in.mos2.rebomos`	8.3
✓ passed	`threebody/in.mos2.sw.mod`	1.5
✓ passed	`threebody/in.threebody`	1.0
✓ passed	`tracker/in.track`	0.7
✓ passed	`triclinic/in.bcc.orthog`	0.5
✓ passed	`triclinic/in.bcc.primitive`	0.5
✓ passed	`triclinic/in.data.general`	0.5
✓ passed	`triclinic/in.fcc.orthog`	0.5
✓ passed	`triclinic/in.fcc.primitive`	0.5
✓ passed	`triclinic/in.hex.orthog`	0.5
✓ passed	`triclinic/in.hex.primitive`	0.5
✓ passed	`triclinic/in.sq2.orthog`	0.5
✓ passed	`triclinic/in.sq2.primitive`	0.5
✗ failed	`ttm/in.ttm`	5.5	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`ttm/in.ttm.cascade`	8.2	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`ttm/in.ttm.grid`	5.8	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`ttm/in.ttm.mod`	2.3	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`ttm/in.ttm.thermal`	5.6	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
⚠ error	`vashishta/in.vashishta.inp`	0.5	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
✓ passed	`vashishta/in.vashishta.sio2`	0.8
✓ passed	`vashishta/in.vashishta.table.inp`	0.6
✓ passed	`vashishta/in.vashishta.table.sio2`	0.7
○ skipped	`voronoi/in.voronoi`	3.5	completed, but no Step nor Loop in the output
⚠ error	`voronoi/in.voronoi.2d`	0.5	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
⚠ error	`voronoi/in.voronoi.data`	0.5	failed, ERROR: KOKKOS package only supports 'bin' neighbor lists (src/KOKKOS/neighbor_kokkos.cpp:94)
○ skipped	`wall/in.wall.block`	3.8	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names
✗ failed	`wall/in.wall.ccl`	3.7	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.ccl.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`wall/in.wall.diffusive`	3.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.diffusive.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`wall/in.wall.flow`	4.7	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.wall.flow.g++.4, which was written with 4 MPI processes instead of 2
○ skipped	`wall/in.wall.harmonic.2d`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names
○ skipped	`wall/in.wall.harmonic.outside.2d`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names
✗ failed	`wall/in.wall.lepton`	0.5	completed, 2 abs diff and 2 rel diff checks failed differs from step 0 on (output row 60)
✗ failed	`wall/in.wall.maxwell`	3.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.maxwell.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`wall/in.wall.specular`	3.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.specular.g++.4, which was written with 4 MPI processes instead of 2
○ skipped	`wall/in.wall.sphere`	3.4	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names
✗ failed	`wall/in.wall.table`	0.5	completed, 2 abs diff and 2 rel diff checks failed differs from step 0 on (output row 78)
○ skipped	`yaml/in.yaml`	1.3	completed, error parsing log.yaml.2 into YAML