Full Regression: openmp — 2026-09-03T05-03-17Z_d71abe6102

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

721

Tests

276

Passed

294

Failed

Errors

Timeouts

Runtest

Skipped

5 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.

79 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 / MPI+OpenMP
sha	d71abe6102c44577442ba7f03b7378a83166b9fd
branch	develop
version	patch_2Sep2026
generated	2026-09-03T05:03:17Z
source_url	https://download.lammps.org/coverage/openmp.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_openmp.yaml
lmp_binary	/home/akohlmey/compile/lammps-analyze/build-regression/lmp

Changes vs 2026-09-02T21-54-54Z_9f04213aff

+1 new failures · 4 new tests · 12 removed vs previous run

New failures (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 (119)

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 (14)

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 88 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 201 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
bpm/metamaterial/in.bpm.metamaterial
the run needs 60 s: a production sized run that should be shortened in the repository
bpm/pour/in.bpm.pour
the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
granregion/in.granregion.funnel
the run needs 67 s: a production sized run that should be shortened in the repository
rheo/balloon/in.rheo.balloon
the run needs 181 s: a production sized run that should be shortened in the repository
rheo/dam-break/in.rheo.dam.break
the run needs 97 s: a production sized run that should be shortened in the repository
rheo/ice-cubes/in.rheo.ice.cubes
the run needs 205 s: a production sized run that should be shortened in the repository
rheo/oxidation/in.rheo.oxidation
the run needs 221 s: a production sized run that should be shortened in the repository
streitz/in.ctip
the run needs 69 s: a production sized run that should be shortened in the repository

reference log file matches no input (11)

PACKAGES/dpd-smooth/2d-diffusion-in-shear-flow/in.lammps
no reference log file matches this input, while log.28Mar23.2d-diffusion-in-shear-flow.g++.1, log.28Mar23.2d-diffusion-in-shear-flow.g++.4 in this folder match no input script at all: check the names
PACKAGES/dpd-smooth/2d-diffusion/in.lammps
no reference log file matches this input, while log.28Mar23.2d-diffusion.g++.1, log.28Mar23.2d-diffusion.g++.4 in this folder match no input script at all: check the names
PACKAGES/dpd-smooth/equipartition-verification/in.lammps
no reference log file matches this input, while log.28Mar23.equipartition.g++.1, log.28Mar23.equipartition.g++.4 in this folder match no input script at all: check the names
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 (94)

LEPTON/in.efield-lepton
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Jan25.efield-lepton.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/addtorque_group/in.addtorque
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.10Sep2025.addtorque.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/brownian/align_self/in.alignself_dipole
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Dec25.alignself_dipole.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/brownian/align_self/in.alignself_quat
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Dec25.alignself_quat.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/cauchy/in.cauchystat
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.2Jun2020.cauchystat.g++.1, which was written with 1 MPI processes instead of 2
PACKAGES/dispersion/in.d2
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Dec2024.d2.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dispersion/in.d3
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Dec2024.d3.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-basic/dpd/in.dpd
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.5Apr22.dpd.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-basic/dpdext/in.dpdext
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.5Apr22.dpdext.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-meso/edpd/in.edpd
velocity create with "loop local": cannot match log.21Apr23.edpd.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-meso/edpd/in.edpd-region
velocity create with "loop local": cannot match log.21Apr23.edpd-region.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-meso/mdpd/in.mdpd
velocity create with "loop local": cannot match log.16Aug17.mdpd.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-meso/tdpd/in.tdpd
velocity create with "loop local": cannot match log.21Apr23.tdpd.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-meso/tdpd/in.tdpd-region
velocity create with "loop local": cannot match log.21Apr23.tdpd-region.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/edip/in.edip-Si
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.4May2017.edip-Si.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/edip/in.edip-Si-multi
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.4May2017.edip-Si-multi.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/electron_stopping/in.cascade_AlCu
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Sep2020.cascade_AlCu.intel.4, which was written with 4 MPI processes instead of 2
PACKAGES/electron_stopping/in.cascade_SiSi
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Sep2020.cascade_SiSi.intel.4, which was written with 4 MPI processes instead of 2
PACKAGES/electron_stopping/in.elstop
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Mar19.elstop.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/hma/in.hma
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.6Nov18.hma.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/meam_spline/in.meam-spline.Si
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.17Dec2022.meam-spline.Si.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/meam_spline/in.meam-spline.TiO2
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.17Dec2022.meam-spline.TiO2.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/mgpt/in.bcc0
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.bcc0.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/mgpt/in.vac0-bcc
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.vac0-bcc.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/moments/in.converge
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.converge.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/moments/in.simple
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.simple.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/moments/in.valtest
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.valtest.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/pedone/in.pedone.melt
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.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
... and 44 more

Worth investigating (114)

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 (21)

ASPHERE/tri/in.tri.srd
differs in the very first thermo output
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/dpd-basic/dpdext_tstat/in.dpdext_tstat
differs in the very first thermo output
PACKAGES/ilves/in.covid
differs in the very first thermo output
PACKAGES/ilves/in.polymelt
differs in the very first thermo output
PACKAGES/interlayer/drip/in.C_drip
differs in the very first thermo output
PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene
differs in the very first thermo output
PACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphene
differs in the very first thermo output
PACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst
differs in the very first thermo output
reaxff/AuO/in.AuO
differs in the very first thermo output
reaxff/CHO/in.CHO
differs in the very first thermo output
reaxff/HNS/in.reaxff.hns
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
rheo/taylor-green/in.rheo.taylor.green
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 (93)

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 150 on (output row 3)
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/eff/ECP/Si2H6/in.Si2H6
differs from step 54 on (output row 27)
PACKAGES/eff/ECP/Si2H6/in.Si2H6.ang
differs from step 50 on (output row 5)
PACKAGES/eff/Li-dendritic/in.Li-dendritic.nvt
differs from step 70 on (output row 7)
PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.ang
differs from step 63 on (output row 1)
PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.bohr
differs from step 47 on (output row 1)
PACKAGES/eff/fixed-core/CH4/in.CH4fc.ang
differs from step 30 on (output row 3)
PACKAGES/extep/in.extep-bn
differs from step 60 on (output row 6)
PACKAGES/filter_corotate/in.peptide
differs from step 100 on (output row 2)
PACKAGES/gle/in.h2o-quantum
differs from step 100 on (output row 1)
PACKAGES/gle/in.h2o-smart
differs from step 100 on (output row 1)
PACKAGES/grem/lj-single/in.gREM-npt
differs from step 20 on (output row 2)
PACKAGES/ilves/in.cg-polymers
differs from step 100 on (output row 1)
PACKAGES/interlayer/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/machdyn/rubber_rings_3d/in.rubber_rings_3d
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/reaction/create_atoms_polystyrene/in.grow_styrene
differs from step 100 on (output row 1)
PACKAGES/reaction/nylon,6-6_melt/in.large_nylon_melt
differs from step 50 on (output row 1)
PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized_variable_probability
differs from step 50 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)
SPIN/setforce_spin/in.spin.setforce
differs from step 100 on (output row 1)
SPIN/spinmin/in.spin.bfo_min
differs from step 50 on (output row 1)
SPIN/spinmin/in.spin.bfo_min_cg
differs from step 100 on (output row 1)
SPIN/spinmin/in.spin.iron_min
differs from step 100 on (output row 1)
... and 43 more

Differs after 200 to 1000 steps (37)

ASPHERE/box/in.box
differs from step 1000 on (output row 12)
ASPHERE/box/in.box.mp
differs from step 1000 on (output row 12)
ASPHERE/dimer/in.dimer
differs from step 1000 on (output row 12)
ASPHERE/ellipsoid/in.ellipsoid
differs from step 1000 on (output row 10)
ASPHERE/ellipsoid/in.ellipsoid.mp
differs from step 1000 on (output row 10)
ASPHERE/line/in.line
differs from step 1000 on (output row 1)
ASPHERE/poly/in.poly
differs from step 1000 on (output row 3)
ASPHERE/poly/in.poly.mp
differs from step 1000 on (output row 3)
ASPHERE/star/in.star
differs from step 1000 on (output row 12)
ASPHERE/star/in.star.mp
differs from step 1000 on (output row 12)
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/eff/CH4/in.ch4.dynamics
differs from step 1000 on (output row 1)
PACKAGES/eff/CH4/in.ch4_ionized.dynamics
differs from step 719 on (output row 1)
PACKAGES/machdyn/funnel_flow/in.funnel_flow
differs from step 800 on (output row 9)
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)
body/in.cubes
differs from step 1000 on (output row 1)
body/in.squares
differs from step 1000 on (output row 1)
body/in.wall2d
differs from step 1000 on (output row 1)
granregion/in.granregion.box
differs from step 400 on (output row 4)
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)
peri/in.peri-pmb
differs from step 1000 on (output row 10)
peri/in.peri.pmb
differs from step 1000 on (output row 10)
peri/in.peri.ves
differs from step 900 on (output row 9)
rdf-adf/in.spce
differs from step 300 on (output row 3)
rdf-adf/in.spce.hbond
differs from step 300 on (output row 3)
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 (33)

PACKAGES/eff/fixed-core/CH4/in.CH4fc.bohr
differs from step 5760 on (output row 578)
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/machdyn/fluid_structure_interaction/in.fluid_structure_interaction
differs from step 4000 on (output row 40)
PACKAGES/pafi/in.pafi
differs from step 1100 on (output row 15)
PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized
differs from step 1150 on (output row 23)
PACKAGES/reaction/tiny_nylon_json/in.tiny_nylon.stabilized
differs from step 1150 on (output row 23)
PACKAGES/reaction/tiny_nylon_wildcards/in.tiny_nylon.stabilized
differs from step 1150 on (output row 23)
PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized
differs from step 10000 on (output row 1), but the thermo output is too sparse to tell when it started
PACKAGES/rhok/in.crystal
differs from step 2050 on (output row 41)
PACKAGES/rhok/in.pinning
differs from step 1300 on (output row 26)
balance/in.balance
differs from step 6000 on (output row 60)
balance/in.balance.bond.fast
differs from step 2400 on (output row 24)
bpm/impact/in.bpm.impact.spring
differs from step 4300 on (output row 43)
cmap/in.cmap
differs from step 10000 on (output row 10)
colloid/in.colloid
differs from step 7000 on (output row 7)
controller/in.controller.wall
differs from step 1500 on (output row 3)
ellipse/in.ellipse.gayberne
differs from step 2600 on (output row 27)
gransurf/in.line.gran.data
differs from step 2100 on (output row 21)
gransurf/in.line.gran.global
differs from step 2600 on (output row 26)
gransurf/in.line.gran.surf
differs from step 2100 on (output row 21)
gransurf/in.tri.gran.data
differs from step 1900 on (output row 19)
gransurf/in.tri.gran.global
differs from step 2200 on (output row 22)
gransurf/in.tri.gran.global.stl
differs from step 2200 on (output row 22)
gransurf/in.tri.gran.surf
differs from step 1900 on (output row 19)
gransurf/in.tri.gran.surf.stl
differs from step 1900 on (output row 19)
gransurf/in.tribox.gran.data
differs from step 2000 on (output row 20)
gransurf/in.tribox.gran.global
differs from step 1700 on (output row 17)
gransurf/in.tribox.gran.global.stl
differs from step 4100 on (output row 41)
gransurf/in.tribox.gran.surf
differs from step 1800 on (output row 18)
gransurf/in.tribox.gran.surf.stl
differs from step 3900 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 (141)

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 (79)

29	no reference log file, run as a crash test
23	log file could not be parsed
14	no thermo output to compare
13	no reference log file, not shortened

○ skipped – Not run at all (62)

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

All tests

Status	Test	Time (s)	Details
✗ failed	`ASPHERE/box/in.box`	9.0	completed, 2 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
✗ failed	`ASPHERE/box/in.box.mp`	8.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
✗ failed	`ASPHERE/dimer/in.dimer`	3.2	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
○ skipped	`ASPHERE/dimer/in.dimer.mp`	0.0	skipped as specified in the test configuration
✗ failed	`ASPHERE/ellipsoid/in.ellipsoid`	3.8	completed, 3 abs diff and 4 rel diff checks failed differs from step 1000 on (output row 10)
✗ failed	`ASPHERE/ellipsoid/in.ellipsoid.mp`	3.7	completed, 3 abs diff and 4 rel diff checks failed differs from step 1000 on (output row 10)
✗ failed	`ASPHERE/flat_membrane/in.flat_membrane`	3.1	completed, 1 abs diff and 2 rel diff checks failed differs from step 200 on (output row 1)
✗ failed	`ASPHERE/line/in.line`	3.6	completed, 2 abs diff and 2 rel diff checks failed differs from step 1000 on (output row 1)
✗ failed	`ASPHERE/line/in.line.srd`	26.4	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`ASPHERE/poly/in.poly`	3.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 3)
✗ failed	`ASPHERE/poly/in.poly.mp`	3.5	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 3)
✗ failed	`ASPHERE/star/in.star`	5.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
✗ failed	`ASPHERE/star/in.star.mp`	5.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
✓ passed	`ASPHERE/superellipsoid_gran/in.bowling`	0.6
✓ passed	`ASPHERE/superellipsoid_gran/in.drop_test`	5.4
✓ passed	`ASPHERE/superellipsoid_gran/in.ellipsoid_gran`	0.5
◉ runtest	`ASPHERE/superellipsoid_gran/in.super_table`	0.8	completed, numerical checks skipped due to missing the reference log file
✗ failed	`ASPHERE/tri/in.tri.srd`	45.0	completed, 4 abs diff and 4 rel diff checks failed differs in the very first thermo output
✗ failed	`ASPHERE/vesicle/in.vesicle`	2.9	completed, 1 abs diff and 2 rel diff checks failed differs from step 200 on (output row 1)
✓ passed	`LEPTON/in.efield-lepton`	2.0	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Jan25.efield-lepton.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/addtorque_group/in.addtorque`	12.7	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`	0.7	completed, 8 abs diff and 8 rel diff checks failed differs from step 100 on (output row 1) (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✓ passed	`PACKAGES/bocs/1_site_just_pair_LD/in.basic_ldd`	1.3
✗ failed	`PACKAGES/bocs/4_sites_LD_SG/in.ldd_create_data`	2.7	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✓ passed	`PACKAGES/bocs/4_sites_LD_SG/in.ldd_molecule`	1.9
✗ failed	`PACKAGES/bocs/in.methanol`	7.8	completed, 4 abs diff and 4 rel diff checks failed differs from step 500 on (output row 1)
✓ passed	`PACKAGES/bondval/in.hexbto`	7.2
✗ failed	`PACKAGES/brownian/2d_velocity/in.2d.velocity`	0.7	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`	3.6	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
✗ failed	`PACKAGES/brownian/align_self/in.alignself_quat`	4.5	completed, 6 abs diff and 6 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Dec25.alignself_quat.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/brownian/asphere/in.2d.ellipsoid`	1.0
✓ passed	`PACKAGES/brownian/asphere/in.3d.ellipsoid`	0.9
✓ passed	`PACKAGES/brownian/point/in.2d.point`	0.6
✓ passed	`PACKAGES/brownian/point/in.3d.point`	0.7
✓ passed	`PACKAGES/brownian/sphere/in.2d.sphere`	0.6
✓ passed	`PACKAGES/brownian/sphere/in.3d.sphere`	0.8
✗ failed	`PACKAGES/brownian/spherical_ABP/in.2d.abp`	1.5	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`	2.1
✗ failed	`PACKAGES/cauchy/in.cauchystat`	1.0	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.2Jun2020.cauchystat.g++.1, which was written with 1 MPI processes instead of 2
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA/duplex1/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA/duplex2/in.duplex2`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA/potential_file/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/dsring/in.dsring`	2.9
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex1/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex2/in.duplex2`	0.7
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex3/in.duplex3`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/potential_file/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA3/duplex2/in.duplex2`	0.7
○ skipped	`PACKAGES/cgdna/examples/lj_units/oxDNA3/unique_bp/in.dsring2`	0.0	skipped as specified in the test configuration
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxRNA2/duplex2/in.duplex2`	0.7
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxRNA2/potential_file/in.duplex2`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA/duplex1/in.duplex1`	0.5
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA/duplex2/in.duplex2`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA/potential_file/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/dsring/in.dsring`	2.4
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/duplex1/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/duplex2/in.duplex2`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/duplex3/in.duplex3`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/potential_file/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA3/duplex2/in.duplex2`	0.6
○ skipped	`PACKAGES/cgdna/examples/real_units/oxDNA3/unique_bp/in.dsring2`	0.0	skipped as specified in the test configuration
✓ passed	`PACKAGES/cgdna/examples/real_units/oxRNA2/duplex2/in.duplex2`	0.7
✓ passed	`PACKAGES/cgdna/examples/real_units/oxRNA2/potential_file/in.duplex2`	0.7
✓ passed	`PACKAGES/cgspica/sds-monolayer/in.sds-hybrid`	2.0
✓ passed	`PACKAGES/cgspica/sds-monolayer/in.sds-regular`	2.0
✗ failed	`PACKAGES/charge_regulation/in.chreg-acid`	1.3	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`	1.2	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`	1.4	completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`PACKAGES/class2xe/in.NVT_class2xe.script`	0.5
✗ failed	`PACKAGES/cnp/in.cnp`	4.4	completed, 8 abs diff and 6 rel diff checks failed differs from step 10 on (output row 1)
✓ passed	`PACKAGES/dielectric/in.confined.dof`	2.7
✓ passed	`PACKAGES/dielectric/in.confined.gmres`	0.6
✓ passed	`PACKAGES/dielectric/in.confined.icc`	0.7
✓ passed	`PACKAGES/dielectric/in.nopbc.dof`	1.2
✓ passed	`PACKAGES/dielectric/in.nopbc.gmres`	0.5
✓ passed	`PACKAGES/dielectric/in.nopbc.icc`	0.5
✓ passed	`PACKAGES/diffraction/in.BulkNi`	38.4
✗ 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`	0.7	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.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`	1.2	completed, 4 abs diff and 4 rel diff checks failed differs in the very first thermo output (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failed	`PACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat`	2.7	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/dpd-basic/dpdext/in.dpdext`	1.0	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.dpdext.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat`	5.5	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
⚠ error	`PACKAGES/dpd-meso/edpd/in.edpd`	1.0	failed, ERROR on proc 0: Non-numeric atom coords - simulation unstable velocity create with "loop local": cannot match log.21Apr23.edpd.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`PACKAGES/dpd-meso/edpd/in.edpd-region`	1.2	failed, ERROR on proc 0: Non-numeric atom coords - simulation unstable velocity create with "loop local": cannot match log.21Apr23.edpd-region.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/dpd-meso/mdpd/in.mdpd`	32.4	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output velocity create with "loop local": cannot match log.16Aug17.mdpd.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/dpd-meso/tdpd/in.tdpd`	20.0	completed, 6 abs diff and 6 rel diff checks failed differs in the very first thermo output velocity create with "loop local": cannot match log.21Apr23.tdpd.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/dpd-meso/tdpd/in.tdpd-region`	20.5	completed, 6 abs diff and 6 rel diff checks failed differs in the very first thermo output velocity create with "loop local": cannot match log.21Apr23.tdpd-region.g++.4, which was written with 4 MPI processes instead of 2
◉ runtest	`PACKAGES/dpd-react/dpd-shardlow/in.dpd-shardlow`	0.6	completed, numerical checks skipped due to missing the reference log file
◉ runtest	`PACKAGES/dpd-react/dpd-vv/in.dpd-vv`	0.8	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`	0.9	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`	1.9	completed, numerical checks skipped due to missing the reference log file
◉ runtest	`PACKAGES/dpd-react/dpdp-shardlow/in.dpdp-shardlow`	0.6	completed, numerical checks skipped due to missing the reference log file
○ 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
◉ runtest	`PACKAGES/dpd-smooth/2d-diffusion-in-shear-flow/in.lammps`	0.9	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.28Mar23.2d-diffusion-in-shear-flow.g++.1, log.28Mar23.2d-diffusion-in-shear-flow.g++.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/dpd-smooth/2d-diffusion/in.lammps`	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.28Mar23.2d-diffusion.g++.1, log.28Mar23.2d-diffusion.g++.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/dpd-smooth/equipartition-verification/in.lammps`	5.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.28Mar23.equipartition.g++.1, log.28Mar23.equipartition.g++.4 in this folder match no input script at all: check the names
✗ failed	`PACKAGES/drude/butane/in.butane.lang`	15.5	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`	16.9	completed, 4 abs diff and 3 rel diff checks failed differs from step 150 on (output row 3)
✗ failed	`PACKAGES/drude/butane/in.butane.tgnh`	15.4	completed, 5 abs diff and 5 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`PACKAGES/drude/ethanol/in.ethanol.lang`	13.8	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`	16.5	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`	14.4	completed, 5 abs diff and 5 rel diff checks failed differs from step 20 on (output row 1)
✗ failed	`PACKAGES/drude/ethylene_glycol/in.ethylene_glycol`	8.2	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`	15.7	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`	18.0	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`	17.9	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`	20.2	completed, 5 abs diff and 5 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`PACKAGES/e3b/in.e3b-tip4p2005`	1.4
✗ failed	`PACKAGES/edip/in.edip-Si`	0.7	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: 2026-07-28T01-01-42Z_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: 2026-07-28T01-01-42Z_73a17bb8cd)
✓ passed	`PACKAGES/edip/in.edip-SiC`	0.5
✓ passed	`PACKAGES/ees/in.fix_wall`	0.7
✓ passed	`PACKAGES/ees/in.fix_wall_region`	0.8
✗ failed	`PACKAGES/eff/Auger-Adamantane/in.adamantane_ionized.nve`	51.1	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`PACKAGES/eff/Be-solid/in.Be-solid.spe`	5.3
✗ failed	`PACKAGES/eff/CH4/in.ch4.dynamics`	1.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
✓ passed	`PACKAGES/eff/CH4/in.ch4.min`	0.6
✗ failed	`PACKAGES/eff/CH4/in.ch4_ionized.dynamics`	22.0	completed, 8 abs diff and 9 rel diff checks failed differs from step 719 on (output row 1)
✗ failed	`PACKAGES/eff/ECP/Si2H6/in.Si2H6`	0.5	completed, 0 abs diff and 1 rel diff checks failed differs from step 54 on (output row 27)
✗ failed	`PACKAGES/eff/ECP/Si2H6/in.Si2H6.ang`	3.7	completed, 4 abs diff and 5 rel diff checks failed differs from step 50 on (output row 5)
✓ passed	`PACKAGES/eff/ECP/SiC/bulk/in.SiC`	11.5
◉ runtest	`PACKAGES/eff/ECP/SiH4/in.SiH4`	0.5	completed, error parsing log.SiH4.2 into YAML
◉ runtest	`PACKAGES/eff/ECP/SiH4/in.SiH4.ang`	0.5	completed, error parsing log.SiH4.ang.2 into YAML
✓ passed	`PACKAGES/eff/H/in.h_atom.spe.ang`	0.5
✓ passed	`PACKAGES/eff/H/in.h_atom.spe.bohr`	0.5
✓ passed	`PACKAGES/eff/H2/in.h2`	2.8
✓ passed	`PACKAGES/eff/H_plasma/in.h2bulk.npt`	17.8
✓ passed	`PACKAGES/eff/H_plasma/in.h2bulk.nve`	29.1
✓ passed	`PACKAGES/eff/H_plasma/in.h2bulk.nve.ang`	31.3
✓ passed	`PACKAGES/eff/Li-dendritic/in.Li-dendritic.min`	14.7
✗ failed	`PACKAGES/eff/Li-dendritic/in.Li-dendritic.nvt`	27.4	completed, 2 abs diff and 0 rel diff checks failed differs from step 70 on (output row 7)
✓ passed	`PACKAGES/eff/Li-solid/in.Li.ang`	32.0
✓ passed	`PACKAGES/eff/Li-solid/in.Li.bohr`	22.5
✗ failed	`PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.ang`	2.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 63 on (output row 1)
✗ failed	`PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.bohr`	0.8	completed, 1 abs diff and 3 rel diff checks failed differs from step 47 on (output row 1)
✗ failed	`PACKAGES/eff/fixed-core/CH4/in.CH4fc.ang`	5.3	completed, 4 abs diff and 5 rel diff checks failed differs from step 30 on (output row 3)
✗ failed	`PACKAGES/eff/fixed-core/CH4/in.CH4fc.bohr`	0.9	completed, 4 abs diff and 4 rel diff checks failed differs from step 5760 on (output row 578)
✓ passed	`PACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.ang`	0.5
✓ passed	`PACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.bohr`	0.5
✓ passed	`PACKAGES/electrode/graph-il/in.graph-il-conp`	23.1
✓ passed	`PACKAGES/electrode/graph-il/in.graph-il-conq`	22.5
✓ passed	`PACKAGES/electrode/graph-il/in.graph-il-conq2`	22.4
✓ passed	`PACKAGES/electrode/graph-il/in.graph-il-etypes`	22.2
✓ passed	`PACKAGES/electrode/graph-il/in.graph-il-ffield`	18.3
✓ passed	`PACKAGES/electrode/graph-il/in.graph-il-ramp`	22.0
✓ passed	`PACKAGES/electrode/graph-il/in.graph-il-thermo`	22.0
✓ 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`	0.5
✓ passed	`PACKAGES/electrode/planar/in.planar-ewald-ew2d`	0.6
✓ passed	`PACKAGES/electrode/planar/in.planar-ewald-ew3dc`	0.5
✓ passed	`PACKAGES/electrode/planar/in.planar-ewald-ffield`	0.5
✓ passed	`PACKAGES/electrode/planar/in.planar-pppm-ew3dc`	0.9
✓ passed	`PACKAGES/electrode/planar/in.planar-pppm-ffield`	1.0
✗ failed	`PACKAGES/electron_stopping/in.cascade_AlCu`	1.8	completed, 2 abs diff and 0 rel diff checks failed differs from step 30 on (output row 6) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Sep2020.cascade_AlCu.intel.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/electron_stopping/in.cascade_SiSi`	2.8	completed, 2 abs diff and 0 rel diff checks failed differs from step 5 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Sep2020.cascade_SiSi.intel.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/electron_stopping/in.elstop`	7.8	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`	0.9
◉ runtest	`PACKAGES/entropy/in.entropy`	0.9	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✗ failed	`PACKAGES/extep/in.extep-bn`	0.7	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`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/fep/C7inEthanol/fep10/in.deletion`	0.6	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`	0.9	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`	0.9	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`	0.8	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`	0.9	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`	0.9	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`	0.8	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`	1.2	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`	1.2	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`	1.0	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`	0.9	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/fep/ta/in.spce.lmp`	1.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/filter_corotate/in.bpti`	6.6	completed, error parsing log.bpti.2 into YAML
✗ failed	`PACKAGES/filter_corotate/in.peptide`	24.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 2)
✓ passed	`PACKAGES/flow_gauss/in.GD`	1.2
✓ passed	`PACKAGES/frenkel/in.frenkel`	1.3
◉ runtest	`PACKAGES/gauss_diel/in.gauss-diel`	0.6	completed, error parsing log.gauss-diel.smoke.2 into YAML
◉ runtest	`PACKAGES/gauss_diel/in.gauss-diel-cg`	0.6	completed, error parsing log.gauss-diel-cg.smoke.2 into YAML
◉ runtest	`PACKAGES/gauss_diel/in.gauss-diel-split`	0.6	completed, error parsing log.gauss-diel-split.smoke.2 into YAML
✗ failed	`PACKAGES/gjf/in.gjf.vfull`	5.2	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`	5.2	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`	5.8	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/gle/in.h2o-smart`	5.6	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
✗ failed	`PACKAGES/grem/lj-single/in.gREM-npt`	0.6	completed, 4 abs diff and 4 rel diff checks failed differs from step 20 on (output row 2) (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✓ passed	`PACKAGES/grem/lj-single/in.gREM-nvt`	0.5
○ skipped	`PACKAGES/grem/lj-temper/in.gREM-temper`	0.0	skipped, needs a multi-partition run ("temper/grem")
◉ runtest	`PACKAGES/hma/in.hma`	37.0	completed, but no Step nor Loop in the output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.6Nov18.hma.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/ilves/in.cg-polymers`	1.4	completed, 7 abs diff and 7 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/ilves/in.covid`	23.8	completed, 3 abs diff and 1 rel diff checks failed differs in the very first thermo output
◉ runtest	`PACKAGES/ilves/in.dimer`	0.6	completed, error parsing log.dimer.2 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-allbonds`	1.5	completed, error parsing log.peptide-allbonds.2 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-fixed`	1.4	completed, error parsing log.peptide-fixed.2 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-ilves`	1.5	completed, error parsing log.peptide-ilves.2 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-mix`	1.5	completed, error parsing log.peptide-mix.2 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-rattle`	1.4	completed, error parsing log.peptide-rattle.2 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-shake`	1.4	completed, error parsing log.peptide-shake.2 into YAML
✗ failed	`PACKAGES/ilves/in.polymelt`	9.1	completed, 2 abs diff and 3 rel diff checks failed differs in the very first thermo output
◉ runtest	`PACKAGES/ilves/in.rhodo-allbonds`	12.0	completed, error parsing log.rhodo-allbonds.2 into YAML
◉ runtest	`PACKAGES/ilves/in.rhodo-ilves`	10.8	completed, error parsing log.rhodo-ilves.2 into YAML
◉ runtest	`PACKAGES/ilves/in.rhodo-shake`	10.5	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`	11.5
✓ passed	`PACKAGES/interlayer/aip_water_2dm/in.gr_water.opt`	6.0
✗ failed	`PACKAGES/interlayer/drip/in.CH_drip`	1.0	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`PACKAGES/interlayer/drip/in.C_drip`	0.9	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene`	27.2	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBN`	28.4
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.grhBN`	29.8
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn`	28.8
✗ failed	`PACKAGES/interlayer/ilp_tmds/in.mos2`	22.7	completed, 1 abs diff and 0 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphene`	26.6	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output
✓ passed	`PACKAGES/interlayer/kolmogorov_crespi_z/in.atom-diffusion`	0.7
✓ passed	`PACKAGES/interlayer/kolmogorov_crespi_z/in.bilayer-graphene`	1.0
✓ passed	`PACKAGES/interlayer/saip_metal/in.gold_gr`	3.8
✗ failed	`PACKAGES/interlayer/saip_metal_tmd/in.au_mos2`	24.6	completed, 3 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
◴ timeout	`PACKAGES/latboltz/diffusingsphere/in.trapnewsphere`	240.0	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
◴ 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`	87.6	the run needs 88 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`	200.6	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 201 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`	12.0	completed, but no Step nor Loop in the output
◉ runtest	`PACKAGES/local_density/methanol_implicit_water/in.methanol_implicit_water`	16.1	completed, but no Step nor Loop in the output
✓ passed	`PACKAGES/machdyn/aluminum_strip_pull/in.aluminum_strip_pull`	1.1
✗ failed	`PACKAGES/machdyn/fluid_structure_interaction/in.fluid_structure_interaction`	13.2	completed, 1 abs diff and 1 rel diff checks failed differs from step 4000 on (output row 40)
✗ failed	`PACKAGES/machdyn/funnel_flow/in.funnel_flow`	15.3	completed, 0 abs diff and 1 rel diff checks failed differs from step 800 on (output row 9)
✗ failed	`PACKAGES/machdyn/rubber_rings_3d/in.rubber_rings_3d`	6.8	completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`PACKAGES/machdyn/rubber_strip_pull/in.rubber_strip_pull`	1.4
✗ failed	`PACKAGES/manybody_table/in.spce`	1.5	completed, 3 abs diff and 3 rel diff checks failed differs from step 400 on (output row 4)
✗ failed	`PACKAGES/manybody_table/in.spce2`	1.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 400 on (output row 4)
✗ failed	`PACKAGES/manybody_table/in.spce_sw`	1.9	completed, 1 abs diff and 0 rel diff checks failed differs from step 1000 on (output row 10)
◉ runtest	`PACKAGES/mbx/256h2o/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.g++.1 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/mbx/256h2o_dipole/in.mbx_h2o`	12.5	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`	13.3	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`	59.6	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`	0.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.17Dec2022.meam-spline.Si.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/meam_spline/in.meam-spline.TiO2`	15.5	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`	0.5	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`	1.4	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`	0.6	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`PACKAGES/meam_sw_spline/Si/in.hcp_relax`	1.4	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`	0.7
✓ 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`	0.7	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`	26.9	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`	0.6
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.hexagonal`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.omega`	0.6
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.single_atom`	0.5
✓ passed	`PACKAGES/mesont/in.film_mesocnt`	4.5
✓ passed	`PACKAGES/mgpt/in.bcc0`	0.5	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.bcc0.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/mgpt/in.vac0-bcc`	0.6	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.vac0-bcc.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/mgpt/in.vacmin-bcc`	3.0
✓ passed	`PACKAGES/ml-runner/in.ml-runner.H2O`	1.1
✓ passed	`PACKAGES/mofff/in.hkust1`	0.5
✓ passed	`PACKAGES/mofff/in.hkust1_long`	0.5
✓ passed	`PACKAGES/momb/in.system`	5.4
✗ failed	`PACKAGES/moments/in.converge`	5.1	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`	6.4	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`	0.5	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`	0.5	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`	23.7	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`	24.7	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`	37.4
✓ passed	`PACKAGES/pace/compute/in.compute`	0.5
✓ passed	`PACKAGES/pace/in.pace.product`	3.8
✓ passed	`PACKAGES/pace/in.pace.recursive`	3.0
✗ failed	`PACKAGES/pafi/in.pafi`	1.8	completed, 2 abs diff and 2 rel diff checks failed differs from step 1100 on (output row 15)
✗ failed	`PACKAGES/pedone/in.pedone.melt`	3.5	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.14Aug2026.pedone.melt.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/pedone/in.pedone.relax`	5.4	completed, 1 abs diff and 1 rel diff checks failed differs from step 200 on (output row 2)
◉ runtest	`PACKAGES/phonon/1-1D-mono/in.Ana`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/phonon/1-1D-mono/in.disp`	0.0	skipped as specified in the test configuration
⚠ error	`PACKAGES/phonon/2-1D-diatomic/in.Ana`	14.2	failed, ERROR on proc 0: Bond atoms 33 34 missing on proc 0 at step 595843
○ skipped	`PACKAGES/phonon/2-1D-diatomic/in.disp`	0.0	skipped as specified in the test configuration
◉ runtest	`PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.EAM3D`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.disp`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.disp2`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.dos`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/phonon/4-Graphene/in.disp`	0.0	skipped as specified in the test configuration
◉ runtest	`PACKAGES/phonon/4-Graphene/in.graphene`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ 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
✓ passed	`PACKAGES/pod/Ta/in.pod`	0.6
○ 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`	15.6	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`	4.7	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`	34.8	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`	6.3	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.30Nov23.methane_qtb.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/quip/in.gap`	1.3
✓ passed	`PACKAGES/quip/in.molecular`	0.5
✓ passed	`PACKAGES/quip/in.sw`	1.1
✗ failed	`PACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene`	3.6	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/reaction/nylon,6-6_melt/in.large_nylon_melt`	15.2	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`PACKAGES/reaction/tiny_epoxy/in.tiny_epoxy.stabilized`	0.7
✗ failed	`PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized`	3.7	completed, 2 abs diff and 2 rel diff checks failed differs from step 1150 on (output row 23)
✗ failed	`PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized_variable_probability`	0.8	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`PACKAGES/reaction/tiny_nylon/in.tiny_nylon.unstabilized`	0.7
✗ failed	`PACKAGES/reaction/tiny_nylon_json/in.tiny_nylon.stabilized`	3.5	completed, 2 abs diff and 2 rel diff checks failed differs from step 1150 on (output row 23)
✗ failed	`PACKAGES/reaction/tiny_nylon_wildcards/in.tiny_nylon.stabilized`	3.0	completed, 2 abs diff and 2 rel diff checks failed differs from step 1150 on (output row 23) (last OK: 2026-08-22T09-41-16Z_320a38e835)
✗ failed	`PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized`	7.0	completed, 2 abs diff and 2 rel diff checks failed differs from step 10000 on (output row 1), but the thermo output is too sparse to tell when it started
✓ passed	`PACKAGES/relres/in.22DMH.real`	12.8
✓ passed	`PACKAGES/relres/in.22DMH.relres`	2.5
✓ passed	`PACKAGES/relres/in.22DMH.respa`	2.1
✗ failed	`PACKAGES/rhok/in.crystal`	6.4	completed, 2 abs diff and 2 rel diff checks failed differs from step 2050 on (output row 41)
✗ failed	`PACKAGES/rhok/in.pinning`	7.0	completed, 2 abs diff and 2 rel diff checks failed differs from step 1300 on (output row 26)
✗ failed	`PACKAGES/rhok/in.setup`	5.5	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/shock/hugoniostat/in.hugoniostat`	4.6	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`	1.9	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`	11.8	completed, 14 abs diff and 14 rel diff checks failed differs from step 1000 on (output row 2)
◉ runtest	`PACKAGES/slater/in.slater`	6.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/sna_nnn_slcsa/in.slcsa`	14.3	completed, error parsing log.slcsa.2 into YAML
⚠ error	`PACKAGES/srp/in.srp`	1.1	failed, no Total wall time in the output,
✗ failed	`PACKAGES/srp_react/in.srp_react`	27.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`PACKAGES/stressprofile/in.cylinder`	2.1
✓ passed	`PACKAGES/stressprofile/in.flat`	1.1
✓ passed	`PACKAGES/stressprofile/in.sphere`	1.0
✓ passed	`PACKAGES/tally/in.force`	2.6
✓ passed	`PACKAGES/tally/in.pe`	2.3
✗ failed	`PACKAGES/tally/in.stress`	2.6	failed, thermo checks skipped due to mismatched number of steps in the log files
○ 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`	1.5	completed, error parsing log.tmd.2 into YAML
✓ passed	`PACKAGES/tracker/in.track`	0.6
✓ passed	`PACKAGES/uef/npt_biaxial/in.npt_biaxial`	1.9
✓ passed	`PACKAGES/uef/nvt_uniaxial/in.nvt_uniaxial`	1.8
✓ passed	`PACKAGES/uf3/in.uf3.Nb`	0.6
◉ 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`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/yaff/mil53al/in.mil53a`	4.0	completed, error parsing log.mil53a.2 into YAML
◉ runtest	`PACKAGES/yaff/mof5/in.mof5`	1.4	completed, error parsing log.mof5.2 into YAML
✓ passed	`SPIN/bfo/in.spin.bfo`	3.0
✗ failed	`SPIN/cobalt_fcc/in.spin.cobalt_fcc`	2.3	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.cobalt_fcc.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`SPIN/cobalt_hcp/in.spin.cobalt_hcp`	1.6	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`	2.3	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_cut.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`SPIN/dipole_spin/in.spin.iron_dipole_ewald`	4.0	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`	3.9	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
○ skipped	`SPIN/gneb/iron/in.gneb.iron`	0.0	skipped, needs a multi-partition run ("fix 3 all neb/spin")
○ skipped	`SPIN/gneb/skyrmion/in.gneb.skyrmion`	0.0	skipped, needs a multi-partition run ("fix 3 all neb/spin")
✗ failed	`SPIN/iron/in.spin.iron`	1.4	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`	1.9	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`	1.6	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`	2.4	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`	1.7
✓ passed	`SPIN/read_restart/in.spin.restart`	0.7
✗ failed	`SPIN/read_restart/in.spin.write_restart`	1.2	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`SPIN/setforce_spin/in.spin.setforce`	0.5	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`SPIN/spinmin/in.spin.bfo_min`	2.4	completed, 1 abs diff and 1 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`SPIN/spinmin/in.spin.bfo_min_cg`	2.4	completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`SPIN/spinmin/in.spin.bfo_min_lbfgs`	0.7	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`SPIN/spinmin/in.spin.iron_min`	0.5	completed, 1 abs diff and 1 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: 2026-07-28T01-01-42Z_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: 2026-07-28T01-01-42Z_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: 2026-07-28T01-01-42Z_73a17bb8cd)
✓ passed	`airebo/in.airebo`	14.4
✓ passed	`airebo/in.airebo-0-0`	1.9
✓ passed	`airebo/in.airebo-bc`	14.4
✓ passed	`airebo/in.airebo-m`	15.3
✓ passed	`airebo/in.rebo2`	1.9
✓ passed	`amoeba/in.ubiquitin`	4.8
✓ passed	`amoeba/in.water_box.amoeba`	4.0
✓ passed	`amoeba/in.water_box.hippo`	3.1
✓ passed	`amoeba/in.water_dimer.amoeba`	0.5
✓ passed	`amoeba/in.water_dimer.hippo`	0.5
✓ passed	`amoeba/in.water_hexamer.amoeba`	0.5
✓ passed	`amoeba/in.water_hexamer.hippo`	0.5
✓ passed	`atm/in.atm`	3.0
✗ failed	`balance/in.balance`	0.8	completed, 2 abs diff and 2 rel diff checks failed differs from step 6000 on (output row 60)
✗ failed	`balance/in.balance.bond.fast`	1.0	completed, 2 abs diff and 2 rel diff checks failed differs from step 2400 on (output row 24)
✓ passed	`balance/in.balance.bond.slow`	1.6
✗ failed	`balance/in.balance.clock.dynamic`	4.5	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`	1.8	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`	0.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.group.dynamic.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.group.static`	1.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.group.static.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.kspace`	2.3	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.3Nov23.balance.kspace.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.neigh.dynamic`	4.1	completed, 11 abs diff and 12 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.neigh.dynamic.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.neigh.rcb`	1.4	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`	2.8	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`	5.3	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
✗ failed	`body/in.body`	0.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 200 on (output row 2)
✗ failed	`body/in.cubes`	7.3	completed, 2 abs diff and 2 rel diff checks failed differs from step 1000 on (output row 1)
✓ passed	`body/in.pour3d`	0.8
✗ failed	`body/in.squares`	5.2	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
✗ failed	`body/in.wall2d`	4.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
✗ failed	`bpm/impact/in.bpm.impact.rotational`	19.6	completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1) (last OK: 2026-08-22T19-42-07Z_05d2e6cc98)
✗ failed	`bpm/impact/in.bpm.impact.spring`	6.3	completed, 0 abs diff and 1 rel diff checks failed differs from step 4300 on (output row 43)
✓ passed	`bpm/metamaterial/in.bpm.metamaterial`	60.2	the run needs 60 s: a production sized run that should be shortened in the repository
✓ passed	`bpm/peri/benchmark/in.bench.bpm.pmb`	1.2
✓ passed	`bpm/peri/benchmark/in.bench.legacy.pmb`	1.6
✓ passed	`bpm/peri/in.bpm.peri.eps`	12.1
✓ passed	`bpm/peri/in.bpm.peri.lps`	9.2
✓ passed	`bpm/peri/in.bpm.peri.pmb`	8.0
✓ passed	`bpm/peri/in.bpm.peri.ves`	11.9
✗ failed	`bpm/plasticity/in.bpm.plasticity`	87.4	completed, 0 abs diff and 1 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.19Nov2024.bpm.plasticity.g++.1, which was written with 1 MPI processes instead of 2; the run needs 87 s: a pro ...
✗ failed	`bpm/poissons_ratio/in.bpm.poissons_ratio`	24.9	completed, 0 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.19Nov2024.bpm.poissons_ratio.g++.1, which was written with 1 MPI processes instead of 2
◴ timeout	`bpm/pour/in.bpm.pour`	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	`bpm/wires/in.bpm.wires`	7.9	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.16Apr2026.bpm.wires.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`charmmfsw/in.charmmfsw`	4.9	completed, 2 abs diff and 0 rel diff checks failed differs from step 20 on (output row 2)
✗ failed	`cmap/in.cmap`	3.0	completed, 1 abs diff and 1 rel diff checks failed differs from step 10000 on (output row 10)
✗ failed	`colloid/in.colloid`	5.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 7000 on (output row 7)
✗ 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`	6.0
✓ passed	`comb/in.comb.HfO2`	1.6
✗ 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
✓ passed	`comb/in.comb.Si.elastic`	0.6	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
○ skipped	`comb/in.comb3`	0.0	skipped as specified in the test configuration
✗ failed	`controller/in.controller.temp`	2.8	completed, 6 abs diff and 6 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`controller/in.controller.wall`	6.9	completed, 2 abs diff and 2 rel diff checks failed differs from step 1500 on (output row 3)
✗ failed	`coreshell/in.coreshell`	3.0	completed, 8 abs diff and 9 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`coreshell/in.coreshell.dsf`	4.9	completed, 10 abs diff and 10 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`coreshell/in.coreshell.thermostats`	3.8	completed, 13 abs diff and 14 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`coreshell/in.coreshell.wolf`	5.9	completed, 10 abs diff and 10 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`crack/in.crack`	1.3	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`	2.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`deposit/in.deposit.molecule`	2.8	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`	3.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`deposit/in.deposit.molecule.rigid-nvt-small`	2.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`deposit/in.deposit.molecule.rigid-small`	3.2	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`deposit/in.deposit.molecule.shake`	2.7	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`dipole/in.charge_dipole`	10.4	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`	1.0	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
◉ runtest	`dreiding/in.dreiding`	0.5	completed, error parsing log.dreiding.2 into YAML
✗ failed	`eim/in.eim`	1.1	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`ellipse/in.ellipse.gayberne`	1.0	completed, 2 abs diff and 2 rel diff checks failed differs from step 2600 on (output row 27)
✓ passed	`ellipse/in.ellipse.resquared`	1.2
✗ failed	`fire/in.abcfire`	0.8	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`fire/in.abcfire_mod`	0.7	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`fire/in.cg`	0.7	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`fire/in.fire`	0.6	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`fire/in.fire_mod`	0.6	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`fire/in.meam.abcfire`	20.0
✓ passed	`fire/in.meam.fire`	27.9
○ 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`	0.8	completed, 2 abs diff and 2 rel diff checks failed differs from step 2500 on (output row 5) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.flow.couette.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`flow/in.flow.pois`	0.8	completed, 2 abs diff and 2 rel diff checks failed differs from step 3500 on (output row 7) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.flow.pois.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`friction/in.friction`	1.7	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.27Nov18.friction.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`granregion/in.granregion.box`	1.3	completed, 7 abs diff and 10 rel diff checks failed differs from step 400 on (output row 4)
✓ passed	`granregion/in.granregion.funnel`	66.8	the run needs 67 s: a production sized run that should be shortened in the repository
✓ passed	`granregion/in.granregion.mixer`	28.2
✗ failed	`gransurf/in.line.gran.data`	0.8	completed, 2 abs diff and 2 rel diff checks failed differs from step 2100 on (output row 21)
✗ failed	`gransurf/in.line.gran.global`	0.9	completed, 2 abs diff and 2 rel diff checks failed differs from step 2600 on (output row 26)
✗ failed	`gransurf/in.line.gran.surf`	0.8	completed, 2 abs diff and 2 rel diff checks failed differs from step 2100 on (output row 21)
✓ passed	`gransurf/in.screwfeeder.local`	59.0
✗ failed	`gransurf/in.tri.gran.data`	1.1	completed, 5 abs diff and 6 rel diff checks failed differs from step 1900 on (output row 19)
✗ failed	`gransurf/in.tri.gran.global`	0.9	completed, 3 abs diff and 6 rel diff checks failed differs from step 2200 on (output row 22)
✗ failed	`gransurf/in.tri.gran.global.stl`	0.9	completed, 3 abs diff and 6 rel diff checks failed differs from step 2200 on (output row 22)
✗ failed	`gransurf/in.tri.gran.surf`	1.2	completed, 5 abs diff and 6 rel diff checks failed differs from step 1900 on (output row 19)
✗ failed	`gransurf/in.tri.gran.surf.stl`	0.8	completed, 5 abs diff and 6 rel diff checks failed differs from step 1900 on (output row 19)
✗ failed	`gransurf/in.tribox.gran.data`	2.2	completed, 8 abs diff and 10 rel diff checks failed differs from step 2000 on (output row 20)
✗ failed	`gransurf/in.tribox.gran.global`	1.9	completed, 5 abs diff and 10 rel diff checks failed differs from step 1700 on (output row 17)
✗ failed	`gransurf/in.tribox.gran.global.stl`	1.0	completed, 5 abs diff and 6 rel diff checks failed differs from step 4100 on (output row 41)
✗ failed	`gransurf/in.tribox.gran.surf`	2.1	completed, 6 abs diff and 10 rel diff checks failed differs from step 1800 on (output row 18)
✗ failed	`gransurf/in.tribox.gran.surf.stl`	2.2	completed, 10 abs diff and 10 rel diff checks failed differs from step 3900 on (output row 39)
✓ passed	`granular/in.pour.drum`	5.8
✓ passed	`granular/in.pour.flatwall`	4.7
✓ passed	`granular/in.pour.heat`	43.3
✓ passed	`granular/in.restitution`	9.8
✓ passed	`granular/in.sync_verlet`	2.5
✓ passed	`granular/in.tableting.200`	12.3
✓ passed	`granular/in.triaxial.compaction.12`	1.6
✓ passed	`grid/in.grid.2d`	0.5
✓ passed	`grid/in.grid.3d`	0.7
✓ passed	`grid/in.sph`	16.7
✗ failed	`hyper/in.hyper.global`	19.0	completed, 304 abs diff and 304 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`hyper/in.hyper.local`	4.4	failed, thermo checks skipped due to mismatched log files after the first run
✗ failed	`indent/in.indent`	2.8	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`	0.5	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`kim/in.lammps.melt`	0.8
✗ failed	`mc/in.gcmc.co2`	18.9	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.30Mar26.gcmc.co2.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`mc/in.gcmc.h2o`	47.9	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
✗ failed	`mc/in.gcmc.lj`	11.5	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
✗ failed	`mc/in.gcmc.restart`	7.2	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`	6.5	completed, 4 abs diff and 5 rel diff checks failed differs from step 850 on (output row 17)
✗ failed	`mc/in.hmc.rigid`	8.6	completed, 6 abs diff and 6 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`mc/in.mixed`	19.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
✗ failed	`mc/in.pure`	18.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
✗ failed	`mc/in.sgcmc.eam`	9.9	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.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`	0.5
✗ failed	`meam/in.meam.shear`	14.1	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.meam.shear.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`meam/msmeam/in.msmeam`	0.5
✓ passed	`melt/in.melt`	0.6
✗ failed	`mesh/in.marble_race`	40.1	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`	3.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 200 on (output row 2) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11May22.mesh_box.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`micelle/in.micelle`	0.6	completed, 0 abs diff and 1 rel diff checks failed differs from step 850 on (output row 38)
✗ failed	`micelle/in.micelle-rigid`	0.6	completed, 6 abs diff and 6 rel diff checks failed differs from step 50 on (output row 12)
✗ failed	`min/in.min`	0.6	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`min/in.min.box`	2.5	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
◉ runtest	`mliap/in.mliap.ace.compute`	0.7	completed, but no Step nor Loop in the output
✓ passed	`mliap/in.mliap.nn.Cu`	2.0
✓ passed	`mliap/in.mliap.nn.Ta06A`	0.9
○ 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
◉ runtest	`mliap/in.mliap.quadratic.compute`	0.5	completed, but no Step nor Loop in the output
✓ passed	`mliap/in.mliap.snap.Ta06A`	0.9
✓ passed	`mliap/in.mliap.snap.WBe.PRB2019`	1.5
✓ passed	`mliap/in.mliap.snap.chem`	6.5
◉ runtest	`mliap/in.mliap.snap.compute`	0.5	completed, but no Step nor Loop in the output
✓ 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`	1.6
○ skipped	`mliap/in.mliap.unified.lj.Ar`	0.0	skipped as specified in the test configuration
✗ failed	`multi/in.colloid`	0.7	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`multi/in.granular`	1.1	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`multi/in.powerlaw`	1.6	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`nb3b/in.nb3b`	1.7
✗ failed	`nb3b/in.nb3b.screened`	10.7	completed, 3 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`	0.5
✗ failed	`numdiff/in.numdiff`	0.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.19Feb2022.numdiff.g++.4, which was written with 4 MPI processes instead of 2 (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failed	`obstacle/in.obstacle`	1.5	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.obstacle.g++.4, which was written with 4 MPI processes instead of 2
◉ runtest	`peptide/in.peptide`	1.4	completed, error parsing log.peptide.2 into YAML
✗ failed	`peri/in.peri-pmb`	4.0	completed, 2 abs diff and 0 rel diff checks failed differs from step 1000 on (output row 10) (last OK: 2026-08-24T02-40-35Z_f9a871876d)
✓ passed	`peri/in.peri.eps`	10.2
✗ failed	`peri/in.peri.lps`	3.7	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`peri/in.peri.pmb`	3.8	completed, 2 abs diff and 0 rel diff checks failed differs from step 1000 on (output row 10)
✗ failed	`peri/in.peri.ves`	10.9	completed, 1 abs diff and 0 rel diff checks failed differs from step 900 on (output row 9)
✓ passed	`pour/in.pour`	10.1
✓ passed	`pour/in.pour.2d`	2.1
✓ passed	`pour/in.pour.2d.molecule`	2.8
○ skipped	`prd/in.prd`	0.0	skipped, needs a multi-partition run ("prd")
✗ failed	`python/in.fix_python_invoke`	0.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.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`	2.7
✓ passed	`python/in.fix_python_move_nve_melt_group`	1.9
✓ passed	`python/in.fix_python_move_nve_melt_opt`	0.7
✓ passed	`python/in.pair_python_coulomb`	1.4
✗ failed	`python/in.pair_python_harmonic`	13.2	completed, 12 abs diff and 12 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Mar22.pair_python_harmonic.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`python/in.pair_python_hybrid`	4.6	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`	1.6
✗ failed	`python/in.pair_python_melt`	9.7	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`	4.1
✗ 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`	0.6
✓ passed	`python/in.python.wrap`	0.6
✗ failed	`qeq/in.qeq.buck`	6.1	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`	21.8	completed, 6 abs diff and 5 rel diff checks failed differs from step 300 on (output row 3)
✗ failed	`rdf-adf/in.spce.hbond`	16.9	completed, 5 abs diff and 4 rel diff checks failed differs from step 300 on (output row 3)
✗ failed	`reaxff/AB/in.AB`	5.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/AuO/in.AuO`	3.3	completed, 2 abs diff and 1 rel diff checks failed differs in the very first thermo output
✗ failed	`reaxff/CHO/in.CHO`	7.0	completed, 3 abs diff and 2 rel diff checks failed differs in the very first thermo output
✓ passed	`reaxff/FC/in.FC`	4.2
✗ failed	`reaxff/FeOH3/in.FeOH3`	4.8	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/HNS/in.reaxff.hns`	7.2	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✗ failed	`reaxff/RDX/in.RDX`	7.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/VOH/in.VOH`	4.4	completed, 3 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/ZnOH2/in.ZnOH2`	2.1	completed, 3 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`reaxff/ci-reaxFF/in.ci-reax.CH`	9.1
✗ failed	`reaxff/in.reaxff.rdx`	0.8	completed, 3 abs diff and 1 rel diff checks failed differs from step 10 on (output row 1)
✗ failed	`reaxff/in.reaxff.rdx-shielded`	0.6	completed, 3 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`reaxff/in.reaxff.tatb`	1.6	completed, 1 abs diff and 2 rel diff checks failed differs from step 5 on (output row 1)
✗ failed	`reaxff/in.reaxff.tatb-shielded`	1.5	completed, 1 abs diff and 2 rel diff checks failed differs in the very first thermo output
○ skipped	`reaxff/water/in.water.acks2`	0.0	skipped as specified in the test configuration
○ skipped	`reaxff/water/in.water.acks2.field`	0.0	skipped as specified in the test configuration
✓ passed	`reaxff/water/in.water.qeq`	2.5
✓ passed	`reaxff/water/in.water.qeq.field`	2.4
✗ failed	`reaxff/water/in.water.qeqr`	2.9	completed, 1 abs diff and 1 rel diff checks failed differs from step 10 on (output row 1) (last OK: 2026-09-02T21-54-54Z_9f04213aff)
✓ passed	`reaxff/water/in.water.qeqr.field`	3.0
✓ passed	`reaxff/water/in.water.qtpie`	3.1
✓ passed	`reaxff/water/in.water.qtpie.field`	3.2
✗ failed	`replicate/in.replicate.bond.x`	0.9	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`	0.8	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`	1.0
✓ passed	`replicate/in.replicate.bond.xy`	0.9
✓ passed	`replicate/in.replicate.cnt`	2.2
✗ failed	`rheo/balloon/in.rheo.balloon`	180.8	completed, 0 abs diff and 1 rel diff checks failed differs from step 2400 on (output row 12) the run needs 181 s: a production sized run that should be shortened in the repository (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failed	`rheo/dam-break/in.rheo.dam.break`	97.0	completed, 0 abs diff and 1 rel diff checks failed differs in the very first thermo output the run needs 97 s: a production sized run that should be shortened in the repository (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failed	`rheo/ice-cubes/in.rheo.ice.cubes`	204.9	completed, 0 abs diff and 1 rel diff checks failed differs from step 200 on (output row 1) the run needs 205 s: a production sized run that should be shortened in the repository (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failed	`rheo/oxidation/in.rheo.oxidation`	221.1	completed, 0 abs diff and 1 rel diff checks failed differs from step 200 on (output row 1) the run needs 221 s: a production sized run that should be shortened in the repository (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failed	`rheo/poiseuille/in.rheo.poiseuille`	14.3	completed, 0 abs diff and 1 rel diff checks failed differs from step 200 on (output row 1) (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failed	`rheo/taylor-green/in.rheo.taylor.green`	44.4	completed, 0 abs diff and 1 rel diff checks failed differs in the very first thermo output (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✓ passed	`rigid/in.rigid`	1.0
✓ passed	`rigid/in.rigid.atomfile`	0.8
✓ passed	`rigid/in.rigid.atomvar`	0.8
✓ passed	`rigid/in.rigid.cubes`	0.8
✓ passed	`rigid/in.rigid.cubes.gravity`	0.9
✗ failed	`rigid/in.rigid.cubes.langevin`	1.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 200 on (output row 1)
◉ runtest	`rigid/in.rigid.cubes.multirun`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.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`	1.0	completed, 0 abs diff and 4 rel diff checks failed differs from step 600 on (output row 3)
✗ failed	`rigid/in.rigid.cubes.npt`	1.0	completed, 0 abs diff and 4 rel diff checks failed differs from step 600 on (output row 3)
✓ passed	`rigid/in.rigid.cubes.nve`	0.8
✓ passed	`rigid/in.rigid.cubes.nvt`	0.8
✓ passed	`rigid/in.rigid.cubes.partial`	0.7
✓ passed	`rigid/in.rigid.cubes.tri`	1.0
✗ failed	`rigid/in.rigid.dipoles`	0.6	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✓ passed	`rigid/in.rigid.early`	1.0
✓ passed	`rigid/in.rigid.ellipsoids`	0.6
✓ passed	`rigid/in.rigid.gravity`	2.3
✓ passed	`rigid/in.rigid.infile`	1.0
✓ passed	`rigid/in.rigid.molecule`	0.8
✗ failed	`rigid/in.rigid.nve`	0.7	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`rigid/in.rigid.nve.early`	0.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`rigid/in.rigid.property`	0.8
✓ passed	`rigid/in.rigid.small`	0.9
✓ passed	`rigid/in.rigid.small.infile`	0.8
✗ failed	`rigid/in.rigid.spheres`	0.7	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✗ failed	`rigid/in.rigid.tnr`	8.0	completed, 28 abs diff and 28 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`shear/in.shear`	1.6	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`	1.4	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`	14.4	completed, 4 abs diff and 4 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`snap/in.gaussian.grid`	0.5
✓ passed	`snap/in.snap.InP.JCPA2020`	6.2
✓ passed	`snap/in.snap.Mo_Chen`	0.9
✓ passed	`snap/in.snap.Ta06A`	0.8
✓ passed	`snap/in.snap.W.2940`	1.5
✓ passed	`snap/in.snap.WBe.PRB2019`	1.5
◉ 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`	1.6
◉ runtest	`snap/in.snap.scale.Ni_Zuo_JCPA2020`	2.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.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.mixture`	1.7	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 3)
✗ failed	`srd/in.srd.pure`	2.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`steinhardt/in.bcc`	0.5
✓ passed	`steinhardt/in.fcc`	0.5
✗ failed	`steinhardt/in.icos`	1.5	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.13Sept18.icos.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`streitz/in.ctip`	68.5	the run needs 69 s: a production sized run that should be shortened in the repository
◉ runtest	`streitz/in.gan`	0.8	completed, numerical checks skipped due to missing the reference log file
✗ failed	`streitz/in.streitz.ewald`	16.0	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✗ failed	`streitz/in.streitz.wolf`	20.2	failed, mismatched columns in the log files
✗ failed	`stress_vcm/in.stress_vcm`	5.2	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")
○ skipped	`template/in.hybrid`	0.0	skipped as specified in the test configuration
✗ failed	`template/in.mol-data-mix`	4.2	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`template/in.mol-restart-mix`	9.7	completed, 8 abs diff and 8 rel diff checks failed differs in the very first thermo output
✗ failed	`template/in.molecular-mix`	5.6	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
○ skipped	`template/in.template-mix`	0.0	skipped as specified in the test configuration
○ skipped	`template/in.tmpl-data-mix`	0.0	skipped as specified in the test configuration
○ skipped	`template/in.tmpl-restart-mix`	0.0	skipped as specified in the test configuration
✓ passed	`tersoff/in.hBN_shift`	0.7
✓ passed	`tersoff/in.tersoff`	0.7
✓ passed	`threebody/in.mos2-bulk`	0.5
✓ passed	`threebody/in.mos2.rebomos`	4.4
✓ passed	`threebody/in.mos2.sw.mod`	1.0
✓ passed	`threebody/in.threebody`	0.8
✓ passed	`triclinic/in.bcc.orthog`	0.5
✓ passed	`triclinic/in.bcc.primitive`	0.5
✓ passed	`triclinic/in.data.general`	0.6
✓ 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`	4.3	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`ttm/in.ttm.cascade`	6.2	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`ttm/in.ttm.grid`	4.2	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`ttm/in.ttm.mod`	2.1	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`ttm/in.ttm.thermal`	4.4	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`vashishta/in.vashishta.inp`	0.5
✓ passed	`vashishta/in.vashishta.sio2`	0.7
✓ passed	`vashishta/in.vashishta.table.inp`	0.5
✓ passed	`vashishta/in.vashishta.table.sio2`	0.6
◉ runtest	`voronoi/in.voronoi`	3.6	completed, but no Step nor Loop in the output
◉ runtest	`voronoi/in.voronoi.2d`	0.5	completed, but no Step nor Loop in the output
◉ runtest	`voronoi/in.voronoi.data`	0.5	completed, but no Step nor Loop in the output
✗ failed	`wall/in.wall.block`	1.4	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: 2026-08-23T21-16-18Z_647a06de81)
✗ failed	`wall/in.wall.ccl`	0.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.ccl.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`wall/in.wall.diffusive`	0.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.diffusive.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`wall/in.wall.flow`	2.8	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`	1.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.23Aug2026.wall.harmonic.2d.g++.4, which was written with 4 MPI processes instead of 2 (last OK: 2026-08-23T21-16-18Z_647a06de81)
✗ failed	`wall/in.wall.harmonic.outside.2d`	1.7	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: 2026-08-23T21-16-18Z_647a06de81)
✓ passed	`wall/in.wall.lepton`	0.5
✗ failed	`wall/in.wall.maxwell`	0.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.maxwell.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`wall/in.wall.specular`	0.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.specular.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`wall/in.wall.sphere`	1.6	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: 2026-08-23T21-16-18Z_647a06de81)
✓ passed	`wall/in.wall.table`	0.5
◉ runtest	`yaml/in.yaml`	1.2	completed, error parsing log.yaml.2 into YAML