Full Regression: kokkos — 2026-09-03T05-08-49Z_d71abe6102

Configuration: 2 MPI tasks with 2 OpenMP threads via the KOKKOS package · compared with the other configurations at this commit

573

Tests

182

Passed

210

Failed

Errors

Timeouts

Runtest

Skipped

4 test(s) hit the time limit of the test harness (240 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.

58 test(s) are runtests. A "runtest" ran to completion but could not be checked against anything - there is no reference log file, or the run was a "-skiprun" dry run - so only the run itself was tested: it is neither passed nor skipped, and counted apart from both. What each of them lacks is counted under not really tested below.

title	Full Regression Test / KOKKOS/OpenMP
sha	d71abe6102c44577442ba7f03b7378a83166b9fd
branch	develop
version	patch_2Sep2026
generated	2026-09-03T05:08:49Z
source_url	https://download.lammps.org/coverage/kokkos.json
operating_system	OS: Linux "Fedora Linux 44 (Forty Four)" 7.1.8-200.fc44.x86_64 x86_64
git_info	Git info (develop / patch_2Sep2026)
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 2026-09-02T22-00-43Z_9f04213aff

1 fixed · 4 new tests · 12 removed vs previous run

Fixed (1)

reaxff/water/in.water.qeqr

New tests (4)

PACKAGES/mbx/256h2o/in.mbx_h2o
PACKAGES/mbx/256h2o_dipole/in.mbx_h2o
PACKAGES/mbx/mof_ff_lammps+1_h2o_mbx/in.mbx_mof_1h2o
PACKAGES/mbx/na+_slab/in.slab

Removed tests (12)

PACKAGES/mbx/256h2o/in.256h2o
PACKAGES/mbx/256h2o_dipole/in.256h2o_dipole
PACKAGES/mbx/mof_ff_lammps+1_h2o_mbx/in.mof_1h2o
PACKAGES/mbx/na+_slab/in.na+_slab
PACKAGES/symmetry/in.lj_binary_fcc_pinv
PACKAGES/symmetry/in.lj_diamond_pinv
PACKAGES/symmetry/in.lj_fcc_pinv
PACKAGES/symmetry/in.lj_pinv
PACKAGES/symmetry/in.lj_pm_wyckoff
PACKAGES/symmetry/in.sic_c2
mc/in.gcmc.region
rigid/in.rigid.small.kk

Needs a fix in the examples tree (104)

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 (8)

PACKAGES/latboltz/diffusingsphere/in.trapnewsphere
the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/microrheology/in.microrheology
the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/pit_geometry/in.pits
the run needs 96 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/planewall/in.planewall
the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/polymer/in.polymer
the run needs 213 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/translocation/in.translocation
the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
hyper/in.hyper.global
the run needs 68 s: a production sized run that should be shortened in the repository
streitz/in.ctip
the run needs 102 s: a production sized run that should be shortened in the repository

reference log file matches no input (8)

PACKAGES/mbx/256h2o/in.mbx_h2o
no reference log file matches this input, while log.21Jul26.256h2o.g++.1 in this folder match no input script at all: check the names
PACKAGES/mbx/256h2o_dipole/in.mbx_h2o
no reference log file matches this input, while log.21Jul26.256h2o_dipole.g++.1 in this folder match no input script at all: check the names
PACKAGES/mbx/mof_ff_lammps+1_h2o_mbx/in.mbx_mof_1h2o
no reference log file matches this input, while log.21Jul26.mof.g++.1 in this folder match no input script at all: check the names
PACKAGES/mbx/na+_slab/in.slab
no reference log file matches this input, while log.21Jul26.na+_slab.g++.1 in this folder match no input script at all: check the names
rigid/in.rigid.cubes.multirun
no reference log file matches this input, while log.rigid.cubes.gravity.1, log.rigid.cubes.gravity.2, log.rigid.cubes.gravity.4, ... in this folder match no input script at all: check the names
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

velocities depend on the MPI count (88)

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/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; the run needs 103 s: a production sized ...
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.14Aug2026.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/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
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.27Aug2026.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.27Aug2026.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.27Aug2026.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.27Aug2026.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.27Aug2026.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.27Aug2026.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
SPIN/nickel/in.spin.nickel_cubic
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
UNITS/in.ar.lj
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
UNITS/in.ar.metal
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
UNITS/in.ar.real
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
balance/in.balance.clock.dynamic
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
balance/in.balance.clock.static
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
balance/in.balance.group.dynamic
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
balance/in.balance.group.static
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
balance/in.balance.kspace
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
balance/in.balance.neigh.dynamic
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
balance/in.balance.neigh.rcb
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
balance/in.balance.neigh.static
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
balance/in.balance.var.dynamic
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
bpm/plasticity/in.bpm.plasticity
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
bpm/poissons_ratio/in.bpm.poissons_ratio
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
comb/in.comb.Cu
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
... and 38 more

Worth investigating (90)

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 (14)

PACKAGES/bocs/4_sites_LD_SG/in.ldd_create_data
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/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst
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-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 (76)

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)
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/charge_regulation/in.chreg-polymer
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 200 on (output row 4)
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 50 on (output row 1)
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/drude/toluene/in.toluene.lang
differs from step 50 on (output row 1)
PACKAGES/drude/toluene/in.toluene.nh
differs from step 50 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/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/pedone/in.pedone.relax
differs from step 200 on (output row 2)
PACKAGES/qtb/methane_qbmsst/in.methane_qbmsst
differs from step 20 on (output row 1)
PACKAGES/rhok/in.setup
differs from step 100 on (output row 1)
PACKAGES/srp_react/in.srp_react
differs from step 100 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.atom
differs from step 100 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.widom.lj
differs from step 10 on (output row 1)
qeq/in.qeq.buck
differs from step 0 on (output row 45)
... and 26 more

Differs after 200 to 1000 steps (16)

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/qtb/alpha_quartz_qtb/in.alpha_quartz_qtb
differs from step 500 on (output row 1)
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 850 on (output row 17)
mc/in.mixed
differs from step 1000 on (output row 1)
mc/in.pure
differs from step 1000 on (output row 1)
micelle/in.micelle
differs from step 850 on (output row 38)
nb3b/in.nb3b.screened
differs from step 700 on (output row 7)
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 (12)

PACKAGES/gjf/in.gjf.vfull
differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
PACKAGES/gjf/in.gjf.vhalf
differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
PACKAGES/pafi/in.pafi
differs from step 1100 on (output row 15)
PACKAGES/rhok/in.crystal
differs from step 2100 on (output row 42)
PACKAGES/rhok/in.pinning
differs from step 1300 on (output row 26)
balance/in.balance
differs from step 5900 on (output row 59)
balance/in.balance.bond.fast
differs from step 2200 on (output row 22)
cmap/in.cmap
differs from step 10000 on (output row 10)
ellipse/in.ellipse.gayberne
differs from step 2500 on (output row 26)
ellipse/in.ellipse.resquared
differs from step 3800 on (output row 39)
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 (108)

A "runtest" ran to completion but could not be checked against anything - there is no reference log file, or the run was a "-skiprun" dry run - so only the run itself was tested: it is neither passed nor skipped, and counted apart from both.

◉ runtest – Ran to completion, but nothing could be checked (58)

23	no reference log file, run as a crash test
16	log file could not be parsed
10	no reference log file, not shortened
9	no thermo output to compare

○ skipped – Not run at all (50)

26	excluded by the test configuration
24	needs a multi-partition run

All tests

Status	Test	Time (s)	Details
✗ failed	`ASPHERE/flat_membrane/in.flat_membrane`	4.3	completed, 2 abs diff and 2 rel diff checks failed differs from step 200 on (output row 1)
⚠ error	`ASPHERE/superellipsoid_gran/in.bowling`	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	`ASPHERE/superellipsoid_gran/in.drop_test`	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	`ASPHERE/superellipsoid_gran/in.ellipsoid_gran`	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	`ASPHERE/superellipsoid_gran/in.super_table`	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 ...
✗ failed	`ASPHERE/vesicle/in.vesicle`	4.2	completed, 1 abs diff and 2 rel diff checks failed differs from step 200 on (output row 1)
✓ passed	`LEPTON/in.efield-lepton`	2.1	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	`PACKAGES/addtorque_group/in.addtorque`	19.3	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
○ 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")
✗ failed	`PACKAGES/baoab/in.baoab_lj`	1.6	completed, 8 abs diff and 8 rel diff checks failed differs from step 100 on (output row 1) (last OK: 2026-07-28T01-11-44Z_73a17bb8cd)
✓ passed	`PACKAGES/bocs/1_site_just_pair_LD/in.basic_ldd`	2.2
✗ failed	`PACKAGES/bocs/4_sites_LD_SG/in.ldd_create_data`	3.9	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output (last OK: 2026-07-28T01-11-44Z_73a17bb8cd)
✓ passed	`PACKAGES/bocs/4_sites_LD_SG/in.ldd_molecule`	5.5
✗ failed	`PACKAGES/bocs/in.methanol`	11.8	completed, 4 abs diff and 4 rel diff checks failed differs from step 500 on (output row 1)
✓ passed	`PACKAGES/bondval/in.hexbto`	7.5
✗ failed	`PACKAGES/brownian/2d_velocity/in.2d.velocity`	1.4	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, 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_dipole.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`PACKAGES/brownian/align_self/in.alignself_quat`	2.8	failed, ERROR: Cannot (yet) use fix propel/self/kk with option quat (src/KOKKOS/fix_propel_self_kokkos.cpp:63) 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`	1.1
✓ 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`	0.9
✓ passed	`PACKAGES/brownian/sphere/in.2d.sphere`	0.9
✓ passed	`PACKAGES/brownian/sphere/in.3d.sphere`	0.9
✗ failed	`PACKAGES/brownian/spherical_ABP/in.2d.abp`	9.8	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`	4.4
✗ failed	`PACKAGES/cauchy/in.cauchystat`	1.9	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.2Jun2020.cauchystat.g++.1, which was written with 1 MPI processes instead of 2
✓ passed	`PACKAGES/cgspica/sds-monolayer/in.sds-regular`	2.1
✗ failed	`PACKAGES/charge_regulation/in.chreg-acid`	2.5	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`	3.8	completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
⚠ 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`	5.6	completed, 8 abs diff and 8 rel diff checks failed differs from step 10 on (output row 1)
⚠ error	`PACKAGES/dielectric/in.confined.dof`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:610)
⚠ error	`PACKAGES/dielectric/in.confined.gmres`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:610)
⚠ error	`PACKAGES/dielectric/in.confined.icc`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:610)
⚠ error	`PACKAGES/dielectric/in.nopbc.dof`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:610)
⚠ error	`PACKAGES/dielectric/in.nopbc.gmres`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:610)
⚠ error	`PACKAGES/dielectric/in.nopbc.icc`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:610)
✓ passed	`PACKAGES/diffraction/in.BulkNi`	38.1
✗ failed	`PACKAGES/dispersion/in.d2`	2.1	completed, 4 abs diff and 4 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.20Dec2024.d2.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/dispersion/in.d3`	3.4	completed, 4 abs diff and 4 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.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`	3.1	completed, 4 abs diff and 4 rel diff checks failed differs in the very first thermo output (last OK: 2026-07-28T01-11-44Z_73a17bb8cd)
✗ failed	`PACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat`	3.7	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`	2.8	failed, ERROR on proc 0: Non-numeric atom coords - simulation unstable
⚠ 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)
◉ runtest	`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
◉ runtest	`PACKAGES/dpd-react/dpde-shardlow/in.dpde-shardlow`	0.6	completed, numerical checks skipped due to missing the reference log file
◉ runtest	`PACKAGES/dpd-react/dpde-vv/in.dpde-vv`	1.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`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)
○ skipped	`PACKAGES/dpd-react/dpdrx-shardlow/in.dpdrx-shardlow`	0.0	skipped as specified in the test configuration
◉ runtest	`PACKAGES/dpd-react/multi-lucy/in.multi-lucy`	0.9	completed, numerical checks skipped due to missing the reference log file
✗ failed	`PACKAGES/drude/butane/in.butane.lang`	32.2	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`	33.0	completed, 3 abs diff and 2 rel diff checks failed differs from step 200 on (output row 4)
✗ failed	`PACKAGES/drude/butane/in.butane.tgnh`	29.8	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`	24.8	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`	26.0	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`	25.3	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`	17.9	completed, 4 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`PACKAGES/drude/swm4-ndp/in.swm4-ndp.lang`	22.5	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`	24.8	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`	47.0	completed, 5 abs diff and 5 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`PACKAGES/drude/toluene/in.toluene.nh`	48.0	completed, 5 abs diff and 5 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`PACKAGES/e3b/in.e3b-tip4p2005`	3.2
✗ 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 (last OK: 2026-07-28T01-11-44Z_73a17bb8cd)
✗ 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 (last OK: 2026-07-28T01-11-44Z_73a17bb8cd)
✓ passed	`PACKAGES/edip/in.edip-SiC`	0.5
✓ passed	`PACKAGES/ees/in.fix_wall`	1.0
✓ passed	`PACKAGES/ees/in.fix_wall_region`	1.3
✓ passed	`PACKAGES/electrode/graph-il/in.graph-il-conp`	23.8
✓ passed	`PACKAGES/electrode/graph-il/in.graph-il-conq`	22.1
✓ passed	`PACKAGES/electrode/graph-il/in.graph-il-conq2`	22.4
✓ passed	`PACKAGES/electrode/graph-il/in.graph-il-etypes`	22.0
✓ passed	`PACKAGES/electrode/graph-il/in.graph-il-ffield`	17.9
✓ passed	`PACKAGES/electrode/graph-il/in.graph-il-ramp`	23.1
✓ passed	`PACKAGES/electrode/graph-il/in.graph-il-thermo`	22.2
✓ passed	`PACKAGES/electrode/madelung/in.madelung-cg`	0.5
✓ passed	`PACKAGES/electrode/madelung/in.madelung-eta`	0.5
✓ passed	`PACKAGES/electrode/madelung/in.madelung-eta_cg`	0.5
✓ passed	`PACKAGES/electrode/madelung/in.madelung-eta_mix`	0.5
✓ passed	`PACKAGES/electrode/madelung/in.madelung-ewald-ew2d`	0.5
✓ passed	`PACKAGES/electrode/madelung/in.madelung-ewald-ew3dc`	0.5
✓ passed	`PACKAGES/electrode/madelung/in.madelung-ewald-ffield`	0.5
✓ passed	`PACKAGES/electrode/madelung/in.madelung-pppm-ew3dc`	0.5
✓ passed	`PACKAGES/electrode/madelung/in.madelung-pppm-ffield`	0.6
✓ 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`	0.9
✗ 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`	3.1	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`	14.0	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`	1.5
◉ runtest	`PACKAGES/entropy/in.entropy`	1.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✗ failed	`PACKAGES/extep/in.extep-bn`	0.6	completed, 3 abs diff and 1 rel diff checks failed differs from step 60 on (output row 6)
◉ runtest	`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
◉ runtest	`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
◉ runtest	`PACKAGES/fep/CC-CO/fep01/in.fep01.lmp`	1.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/fep/CC-CO/fep10/in.fep10.lmp`	1.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`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
◉ runtest	`PACKAGES/fep/CH4-CF4/bar10/in.bar10.lmp`	1.2	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/fep/CH4-CF4/fep01/in.fep01.lmp`	1.2	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/fep/CH4-CF4/fep10/in.fep10.lmp`	1.2	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`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
◉ runtest	`PACKAGES/fep/CH4hyd/fdti10/in.fdti10.lmp`	2.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/fep/CH4hyd/fep01/in.fep01.lmp`	1.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`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
◉ runtest	`PACKAGES/fep/ta/in.spce.lmp`	2.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✓ passed	`PACKAGES/flow_gauss/in.GD`	3.2
✓ passed	`PACKAGES/frenkel/in.frenkel`	1.6
✗ failed	`PACKAGES/gjf/in.gjf.vfull`	17.4	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
✗ failed	`PACKAGES/gjf/in.gjf.vhalf`	19.1	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	`PACKAGES/gle/in.h2o-quantum`	16.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/gle/in.h2o-smart`	14.7	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
○ skipped	`PACKAGES/grem/lj-6rep/in.gREM`	0.0	skipped as specified in the test configuration
⚠ error	`PACKAGES/grem/lj-single/in.gREM-npt`	0.5	failed, ERROR: Compute ID fxgREM_ke for fix grem does not compute kinetic energy (src/REPLICA/fix_grem.cpp:160) (last OK: 2026-07-28T01-11-44Z_73a17bb8cd)
⚠ error	`PACKAGES/grem/lj-single/in.gREM-nvt`	0.5	failed, ERROR: Compute ID fxgREM_ke for fix grem does not compute kinetic energy (src/REPLICA/fix_grem.cpp:160) (last OK: 2026-08-31T21-25-05Z_07032d2a12)
○ skipped	`PACKAGES/grem/lj-temper/in.gREM-temper`	0.0	skipped, needs a multi-partition run ("temper/grem")
◉ runtest	`PACKAGES/hma/in.hma`	102.9	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; the run needs 103 s: a production sized ...
✗ 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)
◉ runtest	`PACKAGES/ilves/in.dimer`	0.9	completed, error parsing log.dimer.2 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-allbonds`	2.2	completed, error parsing log.peptide-allbonds.2 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-fixed`	1.9	completed, error parsing log.peptide-fixed.2 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-ilves`	1.9	completed, error parsing log.peptide-ilves.2 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-mix`	2.1	completed, error parsing log.peptide-mix.2 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-rattle`	2.1	completed, error parsing log.peptide-rattle.2 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-shake`	2.1	completed, error parsing log.peptide-shake.2 into YAML
✗ failed	`PACKAGES/ilves/in.polymelt`	11.0	completed, 2 abs diff and 3 rel diff checks failed differs in the very first thermo output
◉ runtest	`PACKAGES/ilves/in.rhodo-allbonds`	16.8	completed, error parsing log.rhodo-allbonds.2 into YAML
◉ runtest	`PACKAGES/ilves/in.rhodo-ilves`	15.3	completed, error parsing log.rhodo-ilves.2 into YAML
◉ runtest	`PACKAGES/ilves/in.rhodo-shake`	15.2	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.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.melt_imd`	0.0	skipped as specified in the test configuration
✓ passed	`PACKAGES/interlayer/aip_water_2dm/in.gr_water`	18.7
✓ passed	`PACKAGES/interlayer/aip_water_2dm/in.gr_water.opt`	14.3
✗ 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`	1.1
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene`	27.9
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBN`	29.3
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.grhBN`	30.8
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn`	30.5
✗ failed	`PACKAGES/interlayer/ilp_tmds/in.mos2`	23.5	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`	25.9
✓ passed	`PACKAGES/interlayer/kolmogorov_crespi_z/in.atom-diffusion`	0.8
✓ passed	`PACKAGES/interlayer/kolmogorov_crespi_z/in.bilayer-graphene`	1.0
✓ passed	`PACKAGES/interlayer/saip_metal/in.gold_gr`	4.5
✗ failed	`PACKAGES/interlayer/saip_metal_tmd/in.au_mos2`	25.6	completed, 3 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
◴ timeout	`PACKAGES/latboltz/diffusingsphere/in.trapnewsphere`	240.1	failed, no Total wall time in the output, timeout (240s expired) the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
◴ timeout	`PACKAGES/latboltz/microrheology/in.microrheology`	240.0	failed, no Total wall time in the output, timeout (240s expired) the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/latboltz/pit_geometry/in.pits`	96.2	the run needs 96 s: a production sized run that should be shortened in the repository
◴ timeout	`PACKAGES/latboltz/planewall/in.planewall`	240.0	failed, no Total wall time in the output, timeout (240s expired) the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
✗ failed	`PACKAGES/latboltz/polymer/in.polymer`	213.2	completed, 3 abs diff and 3 rel diff checks failed differs from step 10000 on (output row 1), but the thermo output is too sparse to tell when it started the run needs 213 s: a production sized run that should be shortened in the repository
◴ timeout	`PACKAGES/latboltz/translocation/in.translocation`	240.0	failed, no Total wall time in the output, timeout (240s expired) the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
◉ runtest	`PACKAGES/local_density/benzene_water/in.benzene_water`	20.1	completed, but no Step nor Loop in the output
◉ runtest	`PACKAGES/local_density/methanol_implicit_water/in.methanol_implicit_water`	21.4	completed, but no Step nor Loop in the output
✗ failed	`PACKAGES/manybody_table/in.spce`	2.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 400 on (output row 4)
✗ failed	`PACKAGES/manybody_table/in.spce2`	2.0	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`	2.0	completed, 1 abs diff and 0 rel diff checks failed differs from step 1000 on (output row 10)
◉ runtest	`PACKAGES/mbx/256h2o/in.mbx_h2o`	12.2	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.21Jul26.256h2o.g++.1 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/mbx/256h2o_dipole/in.mbx_h2o`	17.4	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.21Jul26.256h2o_dipole.g++.1 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/mbx/mof_ff_lammps+1_h2o_mbx/in.mbx_mof_1h2o`	5.8	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.21Jul26.mof.g++.1 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/mbx/na+_slab/in.slab`	59.8	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.21Jul26.na+_slab.g++.1 in this folder match no input script at all: check the names
✗ 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`	31.3	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`	0.5
✗ failed	`PACKAGES/meam_sw_spline/Si/in.dc_relax`	2.3	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`	4.4
✓ 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`	2.2	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`	0.5
✗ failed	`PACKAGES/meam_sw_spline/Ti/in.energy_conservation.meam.sw`	27.2	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`	0.5
⚠ error	`PACKAGES/mesont/in.film_mesocnt`	4.5	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 ...
✓ 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`	0.5	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`	1.2
⚠ error	`PACKAGES/mofff/in.hkust1`	0.5	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`	8.5
✗ failed	`PACKAGES/moments/in.converge`	8.8	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.02May2025.converge.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/moments/in.simple`	11.5	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.02May2025.simple.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/moments/in.valtest`	0.6	completed, 1 abs diff and 1 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.02May2025.valtest.g++.4, which was written with 4 MPI processes instead of 2
◉ runtest	`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`	19.2	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`	19.5	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`	47.9
✓ passed	`PACKAGES/pace/compute/in.compute`	0.5
✓ passed	`PACKAGES/pace/in.pace.product`	2.0
✓ passed	`PACKAGES/pace/in.pace.recursive`	3.1
✗ failed	`PACKAGES/pafi/in.pafi`	3.7	completed, 2 abs diff and 3 rel diff checks failed differs from step 1100 on (output row 15)
✗ failed	`PACKAGES/pedone/in.pedone.melt`	7.0	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.14Aug2026.pedone.melt.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/pedone/in.pedone.relax`	9.6	completed, 2 abs diff and 1 rel diff checks failed differs from step 200 on (output row 2)
○ skipped	`PACKAGES/phonon/1-1D-mono/in.disp`	0.0	skipped as specified in the test configuration
○ 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.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
◉ runtest	`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")
○ skipped	`PACKAGES/pod/InP/in.fitpod.InP`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/pod/InP/in.pod.InP`	0.0	skipped as specified in the test configuration
◉ runtest	`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)
○ skipped	`PACKAGES/pod/Ta/in.pod.compute`	0.0	skipped as specified in the test configuration
✓ passed	`PACKAGES/ptm/in.ptm`	0.5
✗ failed	`PACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst`	33.5	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`	14.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 500 on (output row 1)
✗ failed	`PACKAGES/qtb/methane_qbmsst/in.methane_qbmsst`	26.8	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`	6.8	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`	1.4
✓ 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`	0.5	failed, ERROR: Label maps are currently not supported with Kokkos (src/atom.cpp:2325)
⚠ error	`PACKAGES/reaction/tiny_nylon/in.tiny_nylon.unstabilized`	0.5	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`	0.5	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)
✓ passed	`PACKAGES/relres/in.22DMH.real`	17.3
⚠ error	`PACKAGES/relres/in.22DMH.relres`	0.7	failed, ERROR on proc 1: Bond atoms missing at step 4 (last OK: 2026-08-31T21-25-05Z_07032d2a12)
✗ failed	`PACKAGES/rhok/in.crystal`	10.3	completed, 2 abs diff and 2 rel diff checks failed differs from step 2100 on (output row 42)
✗ failed	`PACKAGES/rhok/in.pinning`	10.6	completed, 2 abs diff and 2 rel diff checks failed differs from step 1300 on (output row 26)
✗ failed	`PACKAGES/rhok/in.setup`	8.0	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/shock/hugoniostat/in.hugoniostat`	14.4	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`	2.5	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`	14.6	completed, 14 abs diff and 14 rel diff checks failed differs from step 1000 on (output row 2)
◉ runtest	`PACKAGES/slater/in.slater`	8.3	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/sna_nnn_slcsa/in.slcsa`	14.6	completed, error parsing log.slcsa.2 into YAML
⚠ error	`PACKAGES/srp/in.srp`	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	`PACKAGES/srp_react/in.srp_react`	48.2	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`PACKAGES/stressprofile/in.cylinder`	2.4
✓ passed	`PACKAGES/stressprofile/in.flat`	1.5
✓ passed	`PACKAGES/stressprofile/in.sphere`	1.3
⚠ error	`PACKAGES/tally/in.force`	0.6	failed, ERROR: Cannot yet use compute tally with Kokkos (src/pair.cpp:836)
⚠ error	`PACKAGES/tally/in.pe`	0.8	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")
◉ runtest	`PACKAGES/ti/in.ti_spring`	0.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/tmd/in.tmd`	2.1	completed, error parsing log.tmd.2 into YAML
✓ passed	`PACKAGES/tracker/in.track`	0.9
✓ passed	`PACKAGES/uef/npt_biaxial/in.npt_biaxial`	5.5
✓ passed	`PACKAGES/uef/nvt_uniaxial/in.nvt_uniaxial`	5.3
✓ passed	`PACKAGES/uf3/in.uf3.Nb`	0.8
◉ runtest	`PACKAGES/vtk/in.vtk`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/vtk/in.vtp`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/yaff/mil53al/in.mil53a`	9.0	completed, error parsing log.mil53a.2 into YAML
◉ runtest	`PACKAGES/yaff/mof5/in.mof5`	2.8	completed, error parsing log.mof5.2 into YAML
✓ passed	`SPIN/bfo/in.spin.bfo`	2.9
✗ failed	`SPIN/cobalt_fcc/in.spin.cobalt_fcc`	2.9	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`	2.6	completed, 4 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.27Aug2026.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.27Aug2026.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`	4.3	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.27Aug2026.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`	4.2	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.27Aug2026.spin.iron_dipole_pppm.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`SPIN/iron/in.spin.iron`	2.1	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.27Aug2026.spin.iron.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`SPIN/iron/in.spin.iron_cubic`	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.27Aug2026.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`	2.9	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`	1.9
✓ passed	`SPIN/read_restart/in.spin.restart`	0.9
✗ failed	`SPIN/read_restart/in.spin.write_restart`	1.1	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
○ skipped	`SPIN/test_problems/validation_nve/in.spin.iron-nve`	0.0	skipped as specified in the test configuration
○ skipped	`SPIN/test_problems/validation_nvt/in.spin.nvt_lattice`	0.0	skipped as specified in the test configuration
○ skipped	`SPIN/test_problems/validation_nvt/in.spin.nvt_spin`	0.0	skipped as specified in the test configuration
✗ 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 (last OK: 2026-07-28T01-11-44Z_73a17bb8cd)
✗ 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 (last OK: 2026-07-28T01-11-44Z_73a17bb8cd)
✗ 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 (last OK: 2026-07-28T01-11-44Z_73a17bb8cd)
✓ passed	`airebo/in.airebo`	25.1
✓ passed	`airebo/in.airebo-0-0`	2.6
✓ passed	`airebo/in.airebo-bc`	26.3
✓ passed	`airebo/in.airebo-m`	26.6
✓ passed	`airebo/in.rebo2`	2.9
✓ passed	`atm/in.atm`	5.9
✗ failed	`balance/in.balance`	3.9	completed, 2 abs diff and 2 rel diff checks failed differs from step 5900 on (output row 59)
✗ failed	`balance/in.balance.bond.fast`	2.3	completed, 2 abs diff and 2 rel diff checks failed differs from step 2200 on (output row 22)
✓ passed	`balance/in.balance.bond.slow`	15.4
✗ failed	`balance/in.balance.clock.dynamic`	5.9	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`	2.4	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`	1.1	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.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`	3.7	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.3Nov23.balance.kspace.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.neigh.dynamic`	5.4	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.neigh.dynamic.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.neigh.rcb`	1.7	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`	3.9	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`	7.3	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	`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/peri/benchmark/in.bench.bpm.pmb`	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 ...
⚠ error	`bpm/peri/in.bpm.peri.eps`	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 ...
⚠ error	`bpm/peri/in.bpm.peri.lps`	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 ...
⚠ error	`bpm/peri/in.bpm.peri.pmb`	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 ...
⚠ error	`bpm/peri/in.bpm.peri.ves`	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 ...
⚠ error	`bpm/plasticity/in.bpm.plasticity`	3.8	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 ... 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:70) 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
✗ failed	`charmmfsw/in.charmmfsw`	8.9	completed, 2 abs diff and 0 rel diff checks failed differs from step 20 on (output row 2)
✗ failed	`cmap/in.cmap`	33.4	completed, 1 abs diff and 1 rel diff checks failed differs from step 10000 on (output row 10)
✗ 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`	7.3
✓ passed	`comb/in.comb.HfO2`	2.3
✗ failed	`comb/in.comb.Si`	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.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`	6.3
✗ failed	`controller/in.controller.temp`	3.9	completed, 6 abs diff and 6 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`controller/in.controller.wall`	10.7	completed, 2 abs diff and 2 rel diff checks failed differs from step 500 on (output row 1)
✗ failed	`coreshell/in.coreshell`	4.0	completed, 8 abs diff and 9 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`coreshell/in.coreshell.dsf`	6.6	completed, 10 abs diff and 10 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`coreshell/in.coreshell.thermostats`	5.6	completed, 13 abs diff and 14 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`coreshell/in.coreshell.wolf`	6.5	completed, 10 abs diff and 10 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`crack/in.crack`	3.7	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`	5.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ 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`	8.9	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`	9.4	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`	9.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`deposit/in.deposit.molecule.shake`	8.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`dipole/in.charge_dipole`	8.8	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`	1.5	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
✗ failed	`eim/in.eim`	1.7	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`ellipse/in.ellipse.gayberne`	1.2	completed, 2 abs diff and 2 rel diff checks failed differs from step 2500 on (output row 26)
✗ failed	`ellipse/in.ellipse.resquared`	1.7	completed, 0 abs diff and 2 rel diff checks failed differs from step 3800 on (output row 39)
✗ failed	`fire/in.abcfire`	1.9	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`fire/in.abcfire_mod`	2.9	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`fire/in.cg`	1.5	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`fire/in.fire`	1.3	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`fire/in.fire_mod`	1.2	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`fire/in.meam.abcfire`	16.4
✓ passed	`fire/in.meam.fire`	25.2
○ 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`	4.0	completed, 3 abs diff and 3 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`	4.3	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`	9.5	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
⚠ 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	`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.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.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	`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`	15.5
⚠ 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`	2.0
✓ passed	`grid/in.grid.2d`	0.7
✓ passed	`grid/in.grid.3d`	1.0
✗ failed	`hyper/in.hyper.global`	67.7	completed, 304 abs diff and 303 rel diff checks failed differs from step 100 on (output row 1) the run needs 68 s: a production sized run that should be shortened in the repository
✗ failed	`hyper/in.hyper.local`	7.4	failed, thermo checks skipped due to mismatched log files after the first run
✗ failed	`indent/in.indent`	20.9	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`	1.0	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`kim/in.lammps.melt`	1.1
⚠ error	`mc/in.gcmc.co2`	2.3	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.30Mar26.gcmc.co2.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`mc/in.gcmc.h2o`	85.7	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 86 s: a production ...
✗ failed	`mc/in.gcmc.lj`	13.5	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
✗ failed	`mc/in.gcmc.restart`	8.9	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`	28.5	completed, 4 abs diff and 6 rel diff checks failed differs from step 850 on (output row 17)
⚠ error	`mc/in.hmc.rigid`	5.5	failed, ERROR on proc 0: Bond atoms missing at step 1401
✗ failed	`mc/in.mixed`	53.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
✗ failed	`mc/in.pure`	54.7	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
⚠ error	`mc/in.sgcmc.eam`	1.6	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.13Dec22.sgcmc.eam.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`mc/in.widom.lj`	2.8	completed, 4 abs diff and 4 rel diff checks failed differs from step 10 on (output row 1)
○ skipped	`mc/in.widom.spce`	0.0	skipped as specified in the test configuration
✓ passed	`meam/in.meam`	1.2
✗ failed	`meam/in.meam.shear`	30.7	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`	0.8
✗ failed	`mesh/in.marble_race`	52.3	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.11May22.marble_race.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`mesh/in.mesh_box`	6.7	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 2 rel diff checks failed differs from step 850 on (output row 38)
⚠ error	`micelle/in.micelle-rigid`	0.9	failed, ERROR: fix rigid/small/kk does not yet support 2d systems (src/KOKKOS/fix_rigid_small_kokkos.cpp:189)
✗ failed	`min/in.min`	1.0	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`min/in.min.box`	8.5	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`	2.1
✓ passed	`mliap/in.mliap.nn.Ta06A`	1.0
○ skipped	`mliap/in.mliap.pytorch.Ta06A`	0.0	skipped as specified in the test configuration
○ skipped	`mliap/in.mliap.pytorch.ace`	0.0	skipped as specified in the test configuration
○ skipped	`mliap/in.mliap.pytorch.ace.NN`	0.0	skipped as specified in the test configuration
○ skipped	`mliap/in.mliap.pytorch.relu1hidden`	0.0	skipped as specified in the test configuration
⚠ 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`	0.9
✓ passed	`mliap/in.mliap.snap.WBe.PRB2019`	1.6
✓ passed	`mliap/in.mliap.snap.chem`	6.4
⚠ 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
◉ runtest	`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
○ skipped	`mliap/in.mliap.unified.lj.Ar`	0.0	skipped as specified in the test configuration
✗ failed	`nb3b/in.nb3b.screened`	18.7	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`	0.9
✗ failed	`numdiff/in.numdiff`	11.4	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 (last OK: 2026-07-28T01-11-44Z_73a17bb8cd)
✗ failed	`obstacle/in.obstacle`	11.4	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
◉ runtest	`peptide/in.peptide`	2.1	completed, error parsing log.peptide.2 into YAML
⚠ 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`	0.5	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")
✗ failed	`python/in.fix_python_invoke`	0.8	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.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: lammps_find_pair_neighlist(): Pair style lj/cut does not exist (src/library.cpp:6365)
✓ passed	`python/in.fix_python_move_nve_melt`	2.8
✓ passed	`python/in.fix_python_move_nve_melt_group`	2.0
✓ passed	`python/in.fix_python_move_nve_melt_opt`	0.7
✓ passed	`python/in.pair_python_coulomb`	1.3
✗ failed	`python/in.pair_python_harmonic`	14.8	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`	5.8	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`	2.8
✗ 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
✓ passed	`python/in.python`	0.7
✓ passed	`python/in.python.wrap`	0.5
✗ failed	`qeq/in.qeq.buck`	11.1	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`	37.7	completed, 6 abs diff and 5 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`rdf-adf/in.spce.hbond`	31.9	completed, 5 abs diff and 4 rel diff checks failed differs from step 200 on (output row 2)
✗ failed	`reaxff/AB/in.AB`	12.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/AuO/in.AuO`	3.9	completed, 1 abs diff and 1 rel diff checks failed differs from step 5 on (output row 1)
✗ failed	`reaxff/CHO/in.CHO`	13.7	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/FC/in.FC`	3.7	completed, 1 abs diff and 0 rel diff checks failed differs from step 11 on (output row 12)
✗ failed	`reaxff/FeOH3/in.FeOH3`	11.1	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/HNS/in.reaxff.hns`	5.4	completed, 1 abs diff and 1 rel diff checks failed differs from step 10 on (output row 1)
✗ failed	`reaxff/RDX/in.RDX`	13.5	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/VOH/in.VOH`	8.1	completed, 3 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/ZnOH2/in.ZnOH2`	3.5	completed, 2 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`reaxff/ci-reaxFF/in.ci-reax.CH`	12.4
✗ 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`	1.3	completed, 1 abs diff and 1 rel diff checks failed differs from step 5 on (output row 1)
✗ 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`	3.9	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✗ failed	`reaxff/water/in.water.acks2.field`	5.2	completed, 2 abs diff and 1 rel diff checks failed differs in the very first thermo output
✓ passed	`reaxff/water/in.water.qeq`	2.0
✓ passed	`reaxff/water/in.water.qeq.field`	1.7
✓ passed	`reaxff/water/in.water.qeqr`	2.3
✓ passed	`reaxff/water/in.water.qeqr.field`	2.8
✓ passed	`reaxff/water/in.water.qtpie`	2.8
✓ passed	`reaxff/water/in.water.qtpie.field`	2.8
✗ 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`	2.3	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
✓ passed	`replicate/in.replicate.bond.x.y`	2.5
✓ passed	`replicate/in.replicate.bond.xy`	2.5
✓ passed	`replicate/in.replicate.cnt`	3.6
✓ passed	`rigid/in.rigid`	3.8
✓ passed	`rigid/in.rigid.atomfile`	3.7
✓ passed	`rigid/in.rigid.atomvar`	3.7
✓ passed	`rigid/in.rigid.cubes`	2.7
✓ passed	`rigid/in.rigid.cubes.gravity`	3.1
✗ 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)
◉ runtest	`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.rigid.cubes.gravity.1, log.rigid.cubes.gravity.2, log.rigid.cubes.gravity.4, ... in this folder match no input script at all: check the names
✗ failed	`rigid/in.rigid.cubes.nph`	3.3	completed, 0 abs diff and 4 rel diff checks failed differs from step 600 on (output row 3)
✗ failed	`rigid/in.rigid.cubes.npt`	3.1	completed, 0 abs diff and 4 rel diff checks failed differs from step 600 on (output row 3)
✓ passed	`rigid/in.rigid.cubes.nve`	2.6
✓ passed	`rigid/in.rigid.cubes.nvt`	2.8
✓ passed	`rigid/in.rigid.cubes.partial`	1.6
✓ passed	`rigid/in.rigid.cubes.tri`	3.0
✗ 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`	3.9
✓ passed	`rigid/in.rigid.ellipsoids`	1.4
⚠ 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`	3.7
✓ passed	`rigid/in.rigid.molecule`	3.6
✗ failed	`rigid/in.rigid.nve`	3.7	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`rigid/in.rigid.nve.early`	3.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`rigid/in.rigid.property`	3.7
✓ passed	`rigid/in.rigid.small`	4.9
✓ passed	`rigid/in.rigid.small.infile`	5.1
✗ failed	`rigid/in.rigid.spheres`	1.7	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✗ failed	`rigid/in.rigid.tnr`	14.6	completed, 28 abs diff and 28 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`shear/in.shear`	3.0	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`	4.8	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`	1.1
◉ runtest	`snap/in.snap.compute`	0.5	completed, but no Step nor Loop in the output
◉ runtest	`snap/in.snap.compute.quadratic`	0.5	completed, but no Step nor Loop in the output
◉ runtest	`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
◉ runtest	`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`	1.1
◉ runtest	`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
✗ failed	`srd/in.srd.pure`	3.1	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`	1.4	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`	102.3	the run needs 102 s: a production sized run that should be shortened in the repository
◉ runtest	`streitz/in.gan`	1.2	completed, numerical checks skipped due to missing the reference log file
✗ failed	`streitz/in.streitz.ewald`	28.6	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✗ failed	`streitz/in.streitz.wolf`	37.9	failed, mismatched columns in the log files
✗ failed	`stress_vcm/in.stress_vcm`	7.7	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")
✗ failed	`template/in.mol-data-mix`	6.1	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`template/in.mol-restart-mix`	13.7	completed, 8 abs diff and 8 rel diff checks failed differs in the very first thermo output
✗ failed	`template/in.molecular-mix`	8.4	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.tmpl-restart-mix`	0.5	failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:610)
⚠ 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`	0.6	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`	8.5
✓ passed	`threebody/in.mos2.sw.mod`	2.4
✓ passed	`threebody/in.threebody`	1.0
✓ 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`	5.9	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`ttm/in.ttm.cascade`	8.5	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`ttm/in.ttm.grid`	6.0	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`ttm/in.ttm.mod`	2.5	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`ttm/in.ttm.thermal`	6.0	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`vashishta/in.vashishta.sio2`	0.8
✓ passed	`vashishta/in.vashishta.table.sio2`	0.6
◉ runtest	`voronoi/in.voronoi`	3.7	completed, but no Step nor Loop in the output
✗ failed	`wall/in.wall.block`	1.9	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.23Aug2026.wall.block.g++.4, which was written with 4 MPI processes instead of 2 (last OK: 2026-08-23T21-25-04Z_647a06de81)
✗ failed	`wall/in.wall.ccl`	4.1	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`	4.0	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`	5.5	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
✗ failed	`wall/in.wall.harmonic.2d`	8.7	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.23Aug2026.wall.harmonic.2d.g++.4, which was written with 4 MPI processes instead of 2 (last OK: 2026-08-23T21-25-04Z_647a06de81)
✗ failed	`wall/in.wall.harmonic.outside.2d`	8.7	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.23Aug2026.wall.harmonic.outside.2d.g++.4, which was written with 4 MPI processes instead of 2 (last OK: 2026-08-23T21-25-04Z_647a06de81)
✗ 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`	2.8	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`	4.2	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
✗ failed	`wall/in.wall.sphere`	1.9	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.23Aug2026.wall.sphere.g++.4, which was written with 4 MPI processes instead of 2 (last OK: 2026-08-23T21-25-04Z_647a06de81)
✗ 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)
◉ runtest	`yaml/in.yaml`	1.5	completed, error parsing log.yaml.2 into YAML