Full Regression: parallel — 2026-08-08T16-04-35Z_49a3c29ee8

Configuration: 4 MPI tasks

865

Tests

384

Passed

186

Failed

Errors

Timeouts

138

Runtest

Skipped

18 test(s) hit the time limit of the test harness (120 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.

138 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 / Parallel
sha	49a3c29ee86dd7e1646befc7c17de98b92efd33e
branch	preview
version	patch_4Jul2026-1060-g49a3c29ee8-modified
generated	2026-08-08T16:04:35Z
source_url	https://download.lammps.org/coverage/parallel.json
operating_system	OS: Linux "Fedora Linux 44 (Forty Four)" 7.1.4-204.fc44.x86_64 x86_64
git_info	Git info (preview / patch_4Jul2026-1060-g49a3c29ee8-modified)
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.yaml
lmp_binary	/home/akohlmey/compile/lammps-analyze/build-regression/lmp

Changes vs 2026-08-08T09-03-18Z_227ecb2da6

+1 new failures · 3 fixed · 2 new tests · 2 removed vs previous run

New failures (1)

PACKAGES/machdyn/fluid_structure_interaction/in.fluid_structure_interaction

Fixed (3)

PACKAGES/latboltz/dragforce/in.dragtest
gransurf/in.screwfeeder.local
python/in.pair_python_coulomb

New tests (2)

PACKAGES/pod/InP/in.fitpod.InP
PACKAGES/pod/InP/in.pod.InP

Removed tests (2)

PACKAGES/pod/InP/in.fitpod
PACKAGES/pod/InP/in.pod

Needs a fix in the examples tree (110)

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 (38)

ASPHERE/tri/in.tri.srd
the run needs 37 s: a production sized run that should be shortened in the repository
HEAT/in.lj.ehex
the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
HEAT/in.lj.hex
the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
HEAT/in.spce.ehex
the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
HEAT/in.spce.hex
the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
PACKAGES/apip/in.surface.la.cons.balance
the run needs 30 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balan ...
PACKAGES/basal/in.basal
the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost ...
PACKAGES/diffraction/in.BulkNi
the run needs 42 s: a production sized run that should be shortened in the repository
PACKAGES/dpd-meso/mdpd/in.mdpd
the run needs 36 s: a production sized run that should be shortened in the repository
PACKAGES/eff/Auger-Adamantane/in.adamantane_ionized.nve
the run needs 34 s: a production sized run that should be shortened in the repository
PACKAGES/electrode/au-aq/in.ffield
the run needs 39 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost is in the setup); no reference ...
PACKAGES/electrode/au-aq/in.tf
the run needs 41 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost is in the setup); no reference ...
PACKAGES/electrode/piston/in.piston
the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/confined_colloid/in.confined_colloids
the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/diffusingsphere/in.trapnewsphere
the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/dragforce/in.dragtest
the run needs 81 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/microrheology/in.microrheology
the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/pit_geometry/in.pits
the run needs 54 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/planewall/in.planewall
the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/polymer/in.polymer
the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/toycar/in.toycar
the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/translocation/in.translocation
the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
PACKAGES/mbx/na+_slab/in.na+_slab
the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
PACKAGES/phonon/2-1D-diatomic/in.Ana
the run needs 34 s: a production sized run that should be shortened in the repository
PACKAGES/qtb/methane_qbmsst/in.methane_qbmsst
the run needs 33 s: a production sized run that should be shortened in the repository
PACKAGES/smtbq/in.smtbq.Al2O3
the run needs 54 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, .. ...
PACKAGES/smtbq/in.smtbq.TiO2
the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
bpm/metamaterial/in.bpm.metamaterial
the run needs 56 s: a production sized run that should be shortened in the repository
bpm/pour/in.bpm.pour
the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
granregion/in.granregion.funnel
the run needs 44 s: a production sized run that should be shortened in the repository
gransurf/in.screwfeeder.local
the run needs 85 s: a production sized run that should be shortened in the repository
mc/in.gcmc.h2o
the run needs 52 s: a production sized run that should be shortened in the repository
mesh/in.marble_race
the run needs 61 s: a production sized run that should be shortened in the repository
rheo/balloon/in.rheo.balloon
the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
rheo/dam-break/in.rheo.dam.break
the run needs 98 s: a production sized run that should be shortened in the repository
rheo/ice-cubes/in.rheo.ice.cubes
the run needs 100 s: a production sized run that should be shortened in the repository
rheo/oxidation/in.rheo.oxidation
the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
streitz/in.ctip
the run needs 58 s: a production sized run that should be shortened in the repository

reference log file matches no input (54)

PACKAGES/apip/in.surface.balance
no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balance.rcb.myweight.g++.4, log.02Apr25.surface.balance.rcb.time.g++.4, ... in this folder m ...
PACKAGES/apip/in.surface.la.cons
no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balance.rcb.myweight.g++.4, log.02Apr25.surface.balance.rcb.time.g++.4, ... in this folder m ...
PACKAGES/apip/in.surface.la.cons.balance
the run needs 30 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balan ...
PACKAGES/apip/in.vacancy.dynamic.lambda
no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balance.rcb.myweight.g++.4, log.02Apr25.surface.balance.rcb.time.g++.4, ... in this folder m ...
PACKAGES/dielectric/in.confined
no reference log file matches this input, while log.07Mar23.confined.dof.g++.1, log.07Mar23.confined.dof.g++.4, log.07Mar23.confined.gmres.g++.1, ... in this folder match no input script at all: check ...
PACKAGES/dielectric/in.nopbc
no reference log file matches this input, while log.07Mar23.confined.dof.g++.1, log.07Mar23.confined.dof.g++.4, log.07Mar23.confined.gmres.g++.1, ... in this folder match no input script at all: check ...
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/electrode/graph-il/in.conp
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.conq
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.conq2
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.etypes
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.ffield
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.ramp
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.thermo
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/madelung/in.cg
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/electrode/madelung/in.ewald-ew3dc
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/electrode/madelung/in.ewald-ffield
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/electrode/madelung/in.pppm-ew3dc
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/electrode/madelung/in.pppm-ffield
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/fep/CC-CO/fep01/in.fep01.lmp
no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CC-CO/fep10/in.fep10.lmp
no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4-CF4/bar01/in.bar01.lmp
no reference log file matches this input, while log.bar01.lmp.smoke.1, log.bar01.lmp.smoke.2, log.bar01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4-CF4/bar10/in.bar10.lmp
no reference log file matches this input, while log.bar10.lmp.smoke.1, log.bar10.lmp.smoke.2, log.bar10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4-CF4/fep01/in.fep01.lmp
no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4-CF4/fep10/in.fep10.lmp
no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4hyd/fdti01/in.fdti01.lmp
no reference log file matches this input, while log.fdti01.lmp.smoke.1, log.fdti01.lmp.smoke.2, log.fdti01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4hyd/fdti10/in.fdti10.lmp
no reference log file matches this input, while log.fdti10.lmp.smoke.1, log.fdti10.lmp.smoke.2, log.fdti10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4hyd/fep01/in.fep01.lmp
no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4hyd/fep10/in.fep10.lmp
no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/ta/in.spce.lmp
no reference log file matches this input, while log.spce.lmp.smoke.1, log.spce.lmp.smoke.2, log.spce.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/mofff/in.hkust1
no reference log file matches this input, while log.26Apr26.khust1.g++.1, log.26Apr26.khust1.g++.4, log.26Apr26.khust1_long.g++.1, ... in this folder match no input script at all: check the names
PACKAGES/mofff/in.hkust1_long
no reference log file matches this input, while log.26Apr26.khust1.g++.1, log.26Apr26.khust1.g++.4, log.26Apr26.khust1_long.g++.1, ... in this folder match no input script at all: check the names
PACKAGES/reaction/tiny_nylon_wildcards/in.tiny_nylon.stabilized
no reference log file matches this input, while log.11Feb2026.tiny_nylon_stabilized.g++.1, log.11Feb2026.tiny_nylon_stabilized.g++.4, log.tiny_nylon.stabilized.smoke.1, ... in this folder match no inp ...
PACKAGES/smtbq/in.smatbAgCuPancake
no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
PACKAGES/smtbq/in.smatbBulkFCC
no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
PACKAGES/smtbq/in.smtbq.Al
no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
PACKAGES/smtbq/in.smtbq.Al2O3
the run needs 54 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, .. ...
QUANTUM/NWChem/in.water.mm
no reference log file matches this input, while log.22Mar23.series.plugin.w.bcc.1, log.22Mar23.series.plugin.w.diamond.1, log.22Mar23.series.plugin.w.sc_001.1, ... in this folder match no input script ...
QUANTUM/NWChem/in.zeolite.mm
no reference log file matches this input, while log.22Mar23.series.plugin.w.bcc.1, log.22Mar23.series.plugin.w.diamond.1, log.22Mar23.series.plugin.w.sc_001.1, ... in this folder match no input script ...
bpm/impact/in.bpm.impact.rotational
no reference log file matches this input, while log.bpm.impact.rotational.1, log.bpm.impact.rotational.2, log.bpm.impact.rotational.4, ... in this folder match no input script at all: check the names
bpm/peri/benchmark/in.bench.bpm.pmb
no reference log file matches this input, while log.bench.bpm.pmb.1, log.bench.bpm.pmb.2, log.bench.bpm.pmb.4, ... in this folder match no input script at all: check the names
bpm/peri/benchmark/in.bench.legacy.pmb
no reference log file matches this input, while log.bench.bpm.pmb.1, log.bench.bpm.pmb.2, log.bench.bpm.pmb.4, ... in this folder match no input script at all: check the names
bpm/peri/in.bpm.peri.eps
no reference log file matches this input, while log.bpm.peri.eps.1, log.bpm.peri.eps.2, log.bpm.peri.eps.4, ... 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.20Mar22.rigid.rigid.molecule.g++.1, log.20Mar22.rigid.rigid.molecule.g++.4, log.rigid.cubes.gravity.1, ... in this folder match no input script at a ...
rigid/in.rigid.small.kk
no reference log file matches this input, while log.20Mar22.rigid.rigid.molecule.g++.1, log.20Mar22.rigid.rigid.molecule.g++.4, log.rigid.cubes.gravity.1, ... in this folder match no input script at a ...
snap/in.snap.grid
no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
snap/in.snap.grid.triclinic
no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
snap/in.snap.scale.Ni_Zuo_JCPA2020
no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
... and 4 more

style exists in no package (2)

reaxff/water/in.water.qeqr
names a style that does not exist in any package, so this is a typo or an outdated name that has to be fixed in the input
reaxff/water/in.water.qeqr.field
names a style that does not exist in any package, so this is a typo or an outdated name that has to be fixed in the input

velocities depend on the MPI count (18)

DIFFUSE/in.msd.2d
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Aug18.msd.2d.g++.8, which was written with 8 MPI processes instead of 4
DIFFUSE/in.vacf.2d
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Aug18.vacf.2d.g++.8, which was written with 8 MPI processes instead of 4
KAPPA/in.ehex
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.ehex.g++.8, which was written with 8 MPI processes instead of 4; the run needs 38 s: a production size ...
KAPPA/in.heat
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.heat.g++.8, which was written with 8 MPI processes instead of 4; the run needs 41 s: a production size ...
KAPPA/in.heatflux
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.heatflux.g++.8, which was written with 8 MPI processes instead of 4; the run needs 52 s: a production ...
KAPPA/in.langevin
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.langevin.g++.8, which was written with 8 MPI processes instead of 4; the run needs 40 s: a production ...
KAPPA/in.mp
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.mp.g++.8, which was written with 8 MPI processes instead of 4; the run needs 50 s: a production sized ...
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 4
SPIN/test_problems/validation_nve/in.spin.iron-nve
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11Mar25.spin.iron-nve.g++.1, which was written with 1 MPI processes instead of 4
SPIN/test_problems/validation_nvt/in.spin.nvt_lattice
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11Mar25.spin.nvt_lattice.g++.1, which was written with 1 MPI processes instead of 4
SPIN/test_problems/validation_nvt/in.spin.nvt_spin
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11Mar25.spin.nvt_spin.g++.1, which was written with 1 MPI processes instead of 4
VISCOSITY/in.einstein.2d
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Oct16.einstein.2d.g++.1, which was written with 1 MPI processes instead of 4
VISCOSITY/in.gk.2d
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Oct16.gk.2d.g++.1, which was written with 1 MPI processes instead of 4
VISCOSITY/in.mp.2d
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Oct16.mp.2d.g++.1, which was written with 1 MPI processes instead of 4
VISCOSITY/in.nemd.2d
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Feb26.nemd.2d.g++.1, which was written with 1 MPI processes instead of 4
VISCOSITY/in.wall.2d
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Oct16.wall.2d.g++.1, which was written with 1 MPI processes instead of 4
bpm/plasticity/in.bpm.plasticity
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.19Nov2024.bpm.plasticity.g++.1, which was written with 1 MPI processes instead of 4; the run needs 39 s: a pro ...
bpm/poissons_ratio/in.bpm.poissons_ratio
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.19Nov2024.bpm.poissons_ratio.g++.1, which was written with 1 MPI processes instead of 4

Worth investigating (93)

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 (27)

PACKAGES/charge_regulation/in.chreg-polymer
differs in the very first thermo output
PACKAGES/electrode/madelung/in.ewald-ew2d
differs in the very first thermo output
PACKAGES/interlayer/aip_water_2dm/in.gr_water
differs in the very first thermo output
PACKAGES/interlayer/aip_water_2dm/in.gr_water.opt
differs in the very first thermo output
PACKAGES/mbx/256h2o/in.256h2o
differs in the very first thermo output
PACKAGES/mbx/256h2o_dipole/in.256h2o_dipole
differs in the very first thermo output
PACKAGES/mbx/mof_ff_lammps+1_h2o_mbx/in.mof_1h2o
differs in the very first thermo output
PACKAGES/pedone/in.pedone.melt
differs in the very first thermo output
PACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst
differs in the very first thermo output
PACKAGES/qtb/alpha_quartz_qtb/in.alpha_quartz_qtb
differs in the very first thermo output
PACKAGES/rhok/in.pinning
differs in the very first thermo output
QUANTUM/PySCF/in.mixture.mm
differs in the very first thermo output
SPIN/cobalt_hcp/in.spin.cobalt_hcp
differs in the very first thermo output
SPIN/dipole_spin/in.spin.iron_dipole_ewald
differs in the very first thermo output
SPIN/dipole_spin/in.spin.iron_dipole_pppm
differs in the very first thermo output
SPIN/iron/in.spin.iron
differs in the very first thermo output
SPIN/iron/in.spin.iron_cubic
differs in the very first thermo output
VISCOSITY/in.cos.1000SPCE
differs in the very first thermo output
amoeba/in.water_dimer.amoeba
differs in the very first thermo output
amoeba/in.water_dimer.hippo
differs in the very first thermo output
amoeba/in.water_hexamer.amoeba
differs in the very first thermo output
amoeba/in.water_hexamer.hippo
differs in the very first thermo output
deposit/in.deposit.atom
differs in the very first thermo output
rdf-adf/in.spce
differs in the very first thermo output
reaxff/CHO/in.CHO
differs in the very first thermo output
streitz/in.streitz.ewald
differs in the very first thermo output
template/in.hybrid
differs in the very first thermo output

Differs within the first 200 steps (66)

ASPHERE/dimer/in.dimer
differs from step 0 on (output row 11)
MC-LOOP/in.mc
differs from step 0 on (output row 1)
PACKAGES/baoab/in.baoab_lj
differs from step 200 on (output row 13)
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/colvars/in.peptide-spring
differs from step 70 on (output row 7)
PACKAGES/dpd-basic/dpd/in.dpd
differs from step 100 on (output row 1)
PACKAGES/dpd-basic/dpdext/in.dpdext
differs from step 100 on (output row 1)
PACKAGES/dpd-meso/edpd/in.edpd
differs from step 100 on (output row 1)
PACKAGES/dpd-meso/edpd/in.edpd-region
differs from step 100 on (output row 1)
PACKAGES/dpd-meso/tdpd/in.tdpd
differs from step 200 on (output row 4)
PACKAGES/dpd-meso/tdpd/in.tdpd-region
differs from step 200 on (output row 4)
PACKAGES/drude/butane/in.butane.lang
differs from step 100 on (output row 2)
PACKAGES/drude/butane/in.butane.nh
differs from step 100 on (output row 2)
PACKAGES/drude/butane/in.butane.tgnh
differs from step 100 on (output row 2)
PACKAGES/drude/ethanol/in.ethanol.lang
differs from step 40 on (output row 2)
PACKAGES/drude/ethanol/in.ethanol.nh
differs from step 80 on (output row 4)
PACKAGES/drude/ethanol/in.ethanol.tgnh
differs from step 80 on (output row 4)
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 40 on (output row 2)
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/fixed-core/C2H6/in.C2H6fc.ang
differs from step 63 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 20 on (output row 2)
PACKAGES/filter_corotate/in.peptide
differs from step 100 on (output row 2)
PACKAGES/grem/lj-single/in.gREM-npt
differs from step 10 on (output row 1)
PACKAGES/interlayer/drip/in.CH_drip
differs from step 30 on (output row 3)
PACKAGES/interlayer/ilp_tmds/in.mos2
differs from step 100 on (output row 1)
PACKAGES/interlayer/saip_metal_tmd/in.au_mos2
differs from step 100 on (output row 1)
PACKAGES/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/plumed/in.peptide-plumed
differs from step 10 on (output row 1)
PACKAGES/qtb/methane_qtb/in.methane_qtb
differs from step 50 on (output row 1)
PACKAGES/rhok/in.crystal
differs from step 50 on (output row 1)
PACKAGES/rhok/in.setup
differs from step 100 on (output row 1)
SPIN/bfo/in.spin.bfo
differs from step 50 on (output row 1)
charmmfsw/in.charmmfsw
differs from step 20 on (output row 2)
coreshell/in.coreshell
differs from step 50 on (output row 1)
coreshell/in.coreshell.thermostats
differs from step 50 on (output row 1)
coreshell/in.coreshell.wolf
differs from step 50 on (output row 1)
deposit/in.deposit.molecule
differs from step 200 on (output row 2)
deposit/in.deposit.molecule.shake
differs from step 200 on (output row 2)
eim/in.eim
differs from step 50 on (output row 1)
mc/in.hmc.rigid
differs from step 100 on (output row 1)
micelle/in.micelle-rigid
differs from step 50 on (output row 12)
... and 16 more

Differs after 200 to 1000 steps (31)

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/line/in.line
differs from step 1000 on (output row 1)
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/addtorque_group/in.addtorque
differs from step 1000 on (output row 1)
PACKAGES/bocs/in.methanol
differs from step 500 on (output row 1)
PACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long
differs from step 500 on (output row 5)
PACKAGES/machdyn/funnel_flow/in.funnel_flow
differs from step 800 on (output row 9)
PACKAGES/manybody_table/in.spce
differs from step 600 on (output row 6)
PACKAGES/manybody_table/in.spce2
differs from step 600 on (output row 6)
PACKAGES/pafi/in.pafi
differs from step 500 on (output row 8)
PACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene
differs from step 300 on (output row 3)
PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized
differs from step 700 on (output row 14)
PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized_variable_probability
differs from step 400 on (output row 8)
PACKAGES/reaction/tiny_nylon_json/in.tiny_nylon.stabilized
differs from step 700 on (output row 14)
PACKAGES/shock/nemd/in.nemd
differs from step 800 on (output row 12)
balance/in.balance.kspace
differs from step 300 on (output row 6)
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)
bpm/impact/in.bpm.impact.spring
differs from step 300 on (output row 3)
controller/in.controller.wall
differs from step 500 on (output row 1)
granregion/in.granregion.box
differs from step 400 on (output row 4)
micelle/in.micelle
differs from step 1000 on (output row 41)
python/in.pair_python_hybrid
differs from step 300 on (output row 7)
python/in.pair_python_melt
differs from step 300 on (output row 7)
srd/in.srd.mixture
differs from step 700 on (output row 9)
template/in.molecular-mix
differs from step 204 on (output row 3)
template/in.template-mix
differs from step 204 on (output row 3)
tracker/in.track
differs from step 1000 on (output row 20)

Differs only after 1000 steps, consistent with chaos (27)

ASPHERE/flat_membrane/in.flat_membrane
differs from step 1400 on (output row 7)
PACKAGES/eff/fixed-core/CH4/in.CH4fc.bohr
differs from step 6390 on (output row 641)
PACKAGES/gle/in.h2o-quantum
differs from step 1400 on (output row 14)
PACKAGES/gle/in.h2o-smart
differs from step 1200 on (output row 12)
PACKAGES/machdyn/fluid_structure_interaction/in.fluid_structure_interaction
differs from step 4000 on (output row 40)
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
balance/in.balance
differs from step 6000 on (output row 60)
balance/in.balance.bond.fast
differs from step 2500 on (output row 25)
balance/in.balance.clock.dynamic
differs from step 1600 on (output row 35)
balance/in.balance.var.dynamic
differs from step 1700 on (output row 37)
cmap/in.cmap
differs from step 12000 on (output row 12)
colloid/in.colloid
differs from step 6000 on (output row 6)
ellipse/in.ellipse.gayberne
differs from step 2300 on (output row 24)
ellipse/in.ellipse.resquared
differs from step 2900 on (output row 30)
fire/in.fire
differs from step 1900 on (output row 29)
fire/in.fire_mod
differs from step 1950 on (output row 30)
flow/in.flow.couette
differs from step 2500 on (output row 5)
flow/in.flow.pois
differs from step 3000 on (output row 6)
friction/in.friction
differs from step 10000 on (output row 10)
hyper/in.hyper.global
differs from step 4000 on (output row 26)
indent/in.indent
differs from step 21000 on (output row 21)
mc/in.gcmc.co2
differs from step 7000 on (output row 7)
mc/in.hmc.flexible.melt
differs from step 5250 on (output row 106)
meam/in.meam.shear
differs from step 1500 on (output row 20)
mesh/in.mesh_box
differs from step 1400 on (output row 8)
obstacle/in.obstacle
differs from step 4000 on (output row 4)
rigid/in.rigid.tnr
differs from step 4100 on (output row 41)

Not really tested (206)

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 (138)

57	no reference log file, run as a crash test
33	no reference log file, not shortened
33	log file could not be parsed
15	no thermo output to compare

○ skipped – Not run at all (42)

27	needs a multi-partition run
15	excluded by the test configuration

⚠ error – Could not run for a reason outside the code (26)

26	package not installed

All tests

Status	Test	Time (s)	Details
✗ failed	`ASPHERE/box/in.box`	4.2	completed, 2 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
✗ failed	`ASPHERE/box/in.box.mp`	4.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
✗ failed	`ASPHERE/dimer/in.dimer`	1.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 0 on (output row 11)
⚠ error	`ASPHERE/dimer/in.dimer.mp`	2.1	failed, ERROR: Lost atoms: original 17353 current 17329
✓ passed	`ASPHERE/ellipsoid/in.ellipsoid`	2.3
✓ passed	`ASPHERE/ellipsoid/in.ellipsoid.mp`	2.5
✗ failed	`ASPHERE/flat_membrane/in.flat_membrane`	4.2	completed, 2 abs diff and 2 rel diff checks failed differs from step 1400 on (output row 7)
✗ failed	`ASPHERE/line/in.line`	2.4	completed, 2 abs diff and 2 rel diff checks failed differs from step 1000 on (output row 1)
✗ failed	`ASPHERE/line/in.line.srd`	10.5	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`ASPHERE/poly/in.poly`	2.2
✓ passed	`ASPHERE/poly/in.poly.mp`	2.1
✗ failed	`ASPHERE/star/in.star`	2.8	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
✗ failed	`ASPHERE/star/in.star.mp`	2.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
◉ runtest	`ASPHERE/superellipsoid_gran/in.bowling`	0.5	completed, numerical checks skipped due to missing the reference log file
◉ runtest	`ASPHERE/superellipsoid_gran/in.drop_test`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`ASPHERE/superellipsoid_gran/in.ellipsoid_gran`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`ASPHERE/superellipsoid_gran/in.super_table`	0.7	completed, numerical checks skipped due to missing the reference log file
✗ failed	`ASPHERE/tri/in.tri.srd`	36.5	completed, 4 abs diff and 4 rel diff checks failed differs from step 100 on (output row 1) the run needs 37 s: a production sized run that should be shortened in the repository
✓ passed	`ASPHERE/vesicle/in.vesicle`	2.4
⚠ error	`COUPLE/lammps_spparks/in.lammps`	0.5	failed, ERROR: Cannot open file data.lammps: No such file or directory (src/read_data.cpp:382)
⚠ error	`COUPLE/lammps_spparks/in.spparks`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: seed 56789 (src/input.cpp:308)
◉ runtest	`COUPLE/multiple/in.chain`	0.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`COUPLE/plugin/in.lj`	0.5	completed, numerical checks skipped due to missing the reference log file
◉ runtest	`COUPLE/python/in.fix_external`	0.5	completed, but no Step nor Loop in the output
◉ runtest	`COUPLE/simple/in.lj`	0.5	completed, numerical checks skipped due to missing the reference log file
✗ failed	`DIFFUSE/in.msd.2d`	8.7	completed, 4 abs diff and 4 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Aug18.msd.2d.g++.8, which was written with 8 MPI processes instead of 4
✗ failed	`DIFFUSE/in.vacf.2d`	12.0	completed, 4 abs diff and 4 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Aug18.vacf.2d.g++.8, which was written with 8 MPI processes instead of 4
◉ runtest	`ELASTIC/in.elastic`	0.6	completed, numerical checks skipped due to missing the reference log file
◉ runtest	`ELASTIC_T/BORN_MATRIX/Argon/Analytical/in.ljcov`	23.3	completed, error parsing log.ljcov.4 into YAML
◉ runtest	`ELASTIC_T/BORN_MATRIX/Argon/Numdiff/in.ljcov`	24.2	completed, error parsing log.ljcov.4 into YAML
◉ runtest	`ELASTIC_T/BORN_MATRIX/Silicon/in.elastic`	16.5	completed, error parsing log.elastic.4 into YAML
◉ runtest	`ELASTIC_T/DEFORMATION/Silicon/in.elastic`	2.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`GRAPHICS/in.bpm-fracture`	10.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`GRAPHICS/in.breakable`	3.8	completed, error parsing log.breakable.smoke.4 into YAML
◉ runtest	`GRAPHICS/in.cubes-and-pyramids`	1.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`GRAPHICS/in.mixer-drum`	8.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`GRAPHICS/in.obstacle-lines`	3.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`GRAPHICS/in.peptide-depth`	8.4	completed, error parsing log.peptide-depth.smoke.4 into YAML
◉ runtest	`GRAPHICS/in.peptide-hbonds`	4.8	completed, error parsing log.peptide-hbonds.smoke.4 into YAML
○ skipped	`GRAPHICS/in.peptide-pimd`	0.0	skipped, needs a multi-partition run ("fix 1 all pimd/langevin")
◉ runtest	`GRAPHICS/in.rhodo-delaunay`	8.1	completed, error parsing log.rhodo-delaunay.smoke.4 into YAML
◉ runtest	`GRAPHICS/in.water-arrows`	10.2	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◴ timeout	`HEAT/in.lj.ehex`	120.0	failed, no Total wall time in the output, timeout (120s expired) the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
◴ timeout	`HEAT/in.lj.hex`	120.0	failed, no Total wall time in the output, timeout (120s expired) the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
◴ timeout	`HEAT/in.spce.ehex`	120.0	failed, no Total wall time in the output, timeout (120s expired) the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
◴ timeout	`HEAT/in.spce.hex`	120.0	failed, no Total wall time in the output, timeout (120s expired) the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
✗ failed	`KAPPA/in.ehex`	37.7	completed, 5 abs diff and 5 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.ehex.g++.8, which was written with 8 MPI processes instead of 4; the run needs 38 s: a production size ...
✗ failed	`KAPPA/in.heat`	41.2	completed, 5 abs diff and 5 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.heat.g++.8, which was written with 8 MPI processes instead of 4; the run needs 41 s: a production size ...
✗ failed	`KAPPA/in.heatflux`	52.1	completed, 4 abs diff and 4 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.heatflux.g++.8, which was written with 8 MPI processes instead of 4; the run needs 52 s: a production ...
✗ failed	`KAPPA/in.langevin`	40.5	completed, 4 abs diff and 5 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.langevin.g++.8, which was written with 8 MPI processes instead of 4; the run needs 40 s: a production ...
✗ failed	`KAPPA/in.mp`	50.4	completed, 7 abs diff and 7 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.mp.g++.8, which was written with 8 MPI processes instead of 4; the run needs 50 s: a production sized ...
✓ passed	`LEPTON/in.efield-lepton`	2.1
✗ failed	`MC-LOOP/in.mc`	1.0	completed, 2999 abs diff and 3002 rel diff checks failed differs from step 0 on (output row 1)
✗ failed	`PACKAGES/addtorque_group/in.addtorque`	14.4	completed, 2 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
⚠ error	`PACKAGES/adios/balance/in.adios_balance`	1.1	failed, package not installed, ERROR: Unrecognized dump style 'custom/adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/adios/balance/in.adios_balance2`	1.1	failed, package not installed, ERROR: Unrecognized reader style 'adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/adios/rerun/in.first`	1.2	failed, package not installed, ERROR: Unrecognized dump style 'custom/adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/adios/rerun/in.read_dump`	0.5	failed, package not installed, ERROR: Unrecognized reader style 'adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/adios/rerun/in.rerun`	0.5	failed, package not installed, ERROR: Unrecognized reader style 'adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
○ skipped	`PACKAGES/alchemy/in.alloy`	0.0	skipped, needs a multi-partition run ("fix 2 all alchemy")
○ skipped	`PACKAGES/alchemy/in.twowater`	0.0	skipped, needs a multi-partition run ("fix transform all alchemy")
◉ runtest	`PACKAGES/apip/in.surface.balance`	26.3	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balance.rcb.myweight.g++.4, log.02Apr25.surface.balance.rcb.time.g++.4, ... in this folder m ...
◉ runtest	`PACKAGES/apip/in.surface.la.cons`	20.8	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balance.rcb.myweight.g++.4, log.02Apr25.surface.balance.rcb.time.g++.4, ... in this folder m ...
◉ runtest	`PACKAGES/apip/in.surface.la.cons.balance`	30.4	completed, numerical checks skipped due to missing the reference log file the run needs 30 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balan ...
✓ passed	`PACKAGES/apip/in.surface.la.nocons`	2.7
✓ passed	`PACKAGES/apip/in.vacancy.const.lambda`	1.2
◉ runtest	`PACKAGES/apip/in.vacancy.dynamic.lambda`	1.4	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balance.rcb.myweight.g++.4, log.02Apr25.surface.balance.rcb.time.g++.4, ... in this folder m ...
✓ passed	`PACKAGES/apip/in.validate`	0.6
✗ failed	`PACKAGES/baoab/in.baoab_lj`	0.8	completed, 4 abs diff and 4 rel diff checks failed differs from step 200 on (output row 13) (last OK: 2026-07-28T00-52-56Z_73a17bb8cd)
◴ timeout	`PACKAGES/basal/in.basal`	120.0	failed, no Total wall time in the output, timeout (120s expired) the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost ...
✓ passed	`PACKAGES/bocs/1_site_just_pair_LD/in.basic_ldd`	0.8
✓ passed	`PACKAGES/bocs/4_sites_LD_SG/in.ldd_create_data`	2.6
✓ passed	`PACKAGES/bocs/4_sites_LD_SG/in.ldd_molecule`	1.9
✗ failed	`PACKAGES/bocs/in.methanol`	6.4	completed, 4 abs diff and 4 rel diff checks failed differs from step 500 on (output row 1)
✓ passed	`PACKAGES/bondval/in.hexbto`	4.6
✓ passed	`PACKAGES/brownian/2d_velocity/in.2d.velocity`	0.6
✓ passed	`PACKAGES/brownian/align_self/in.alignself_dipole`	1.4
✓ passed	`PACKAGES/brownian/align_self/in.alignself_quat`	1.9
✓ passed	`PACKAGES/brownian/asphere/in.2d.ellipsoid`	0.7
✓ passed	`PACKAGES/brownian/asphere/in.3d.ellipsoid`	0.7
✓ 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`	0.7
✓ passed	`PACKAGES/brownian/spherical_ABP/in.2d.abp`	1.2
✓ passed	`PACKAGES/brownian/spherical_ABP/in.3d.ideal_abp`	1.7
✗ failed	`PACKAGES/cauchy/in.cauchystat`	0.8	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 4
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA/duplex1/in.duplex1`	0.7
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA/duplex2/in.duplex2`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA/potential_file/in.duplex1`	0.5
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/dsring/in.dsring`	1.8
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex1/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex2/in.duplex2`	0.8
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex3/in.duplex3`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/potential_file/in.duplex1`	0.7
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA3/duplex2/in.duplex2`	0.6
⚠ error	`PACKAGES/cgdna/examples/lj_units/oxDNA3/unique_bp/in.dsring2`	0.6	failed, ERROR on proc 0: cannot open oxdna potential potential file oxdna2_lj.cgdna: No such file or directory (src/potential_file_reader.cpp:58)
✓ 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`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA/duplex2/in.duplex2`	0.7
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA/potential_file/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/dsring/in.dsring`	1.8
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/duplex1/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/duplex2/in.duplex2`	0.7
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/duplex3/in.duplex3`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/potential_file/in.duplex1`	0.5
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA3/duplex2/in.duplex2`	0.7
⚠ error	`PACKAGES/cgdna/examples/real_units/oxDNA3/unique_bp/in.dsring2`	0.6	failed, ERROR on proc 0: cannot open oxdna potential potential file oxdna2_real.cgdna: No such file or directory (src/potential_file_reader.cpp:58)
✓ passed	`PACKAGES/cgdna/examples/real_units/oxRNA2/duplex2/in.duplex2`	0.7
✓ passed	`PACKAGES/cgdna/examples/real_units/oxRNA2/potential_file/in.duplex2`	0.6
◉ runtest	`PACKAGES/cgspica/peg-verlet/in.pegc12e8`	17.5	completed, error parsing log.pegc12e8.4 into YAML
◉ runtest	`PACKAGES/cgspica/peg-verlet/in.pegc12e8-angle`	17.8	completed, error parsing log.pegc12e8-angle.4 into YAML
✓ passed	`PACKAGES/cgspica/sds-monolayer/in.sds-hybrid`	2.0
✓ passed	`PACKAGES/cgspica/sds-monolayer/in.sds-regular`	2.3
✗ failed	`PACKAGES/charge_regulation/in.chreg-acid`	0.9	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`	0.8	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`	1.0	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✓ passed	`PACKAGES/class2xe/in.NVT_class2xe.script`	0.5
✓ passed	`PACKAGES/cnp/in.cnp`	4.3
◉ runtest	`PACKAGES/colvars/in.peptide-colvars`	1.5	completed, error parsing log.peptide-colvars.4 into YAML
◉ runtest	`PACKAGES/colvars/in.peptide-colvars2`	1.0	completed, error parsing log.peptide-colvars2.4 into YAML
✗ failed	`PACKAGES/colvars/in.peptide-spring`	0.8	completed, 2 abs diff and 0 rel diff checks failed differs from step 70 on (output row 7)
✓ passed	`PACKAGES/colvars/in.peptide-spring2`	0.8
◉ runtest	`PACKAGES/dielectric/in.confined`	0.6	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.07Mar23.confined.dof.g++.1, log.07Mar23.confined.dof.g++.4, log.07Mar23.confined.gmres.g++.1, ... in this folder match no input script at all: check ...
◉ runtest	`PACKAGES/dielectric/in.nopbc`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.07Mar23.confined.dof.g++.1, log.07Mar23.confined.dof.g++.4, log.07Mar23.confined.gmres.g++.1, ... in this folder match no input script at all: check ...
✓ passed	`PACKAGES/diffraction/in.BulkNi`	41.6	the run needs 42 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/dispersion/in.d2`	1.4
✓ passed	`PACKAGES/dispersion/in.d3`	2.1
✗ failed	`PACKAGES/dpd-basic/dpd/in.dpd`	0.7	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long`	0.8	completed, 4 abs diff and 4 rel diff checks failed differs from step 500 on (output row 5) (last OK: 2026-07-28T00-52-56Z_73a17bb8cd)
✓ passed	`PACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat`	2.5
✗ failed	`PACKAGES/dpd-basic/dpdext/in.dpdext`	0.8	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`PACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat`	5.8
✗ failed	`PACKAGES/dpd-meso/edpd/in.edpd`	16.3	completed, 6 abs diff and 6 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/dpd-meso/edpd/in.edpd-region`	16.5	completed, 6 abs diff and 6 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/dpd-meso/mdpd/in.mdpd`	36.3	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output the run needs 36 s: a production sized run that should be shortened in the repository
✗ failed	`PACKAGES/dpd-meso/tdpd/in.tdpd`	11.2	completed, 6 abs diff and 6 rel diff checks failed differs from step 200 on (output row 4)
✗ failed	`PACKAGES/dpd-meso/tdpd/in.tdpd-region`	12.1	completed, 6 abs diff and 6 rel diff checks failed differs from step 200 on (output row 4)
◉ 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`	0.7	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`	0.8	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`	1.4	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
⚠ error	`PACKAGES/dpd-react/dpdrx-shardlow/in.dpdrx-shardlow`	0.6	failed, ERROR on proc 0: Shardlow algorithm requires sub-domain length > 2*(rcut+skin). Either reduce the number of processors requested, or change the cutoff/skin: rcut= 36 bbx= 34.565272530332074 bb ...
◉ runtest	`PACKAGES/dpd-react/multi-lucy/in.multi-lucy`	0.8	completed, numerical checks skipped due to missing the reference log file
◉ runtest	`PACKAGES/dpd-smooth/2d-diffusion-in-shear-flow/in.lammps`	0.8	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.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`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.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`	3.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.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`	12.3	completed, 3 abs diff and 4 rel diff checks failed differs from step 100 on (output row 2)
✗ failed	`PACKAGES/drude/butane/in.butane.nh`	14.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 2)
✗ failed	`PACKAGES/drude/butane/in.butane.tgnh`	12.6	completed, 3 abs diff and 5 rel diff checks failed differs from step 100 on (output row 2)
✗ failed	`PACKAGES/drude/ethanol/in.ethanol.lang`	10.9	completed, 5 abs diff and 5 rel diff checks failed differs from step 40 on (output row 2)
✗ failed	`PACKAGES/drude/ethanol/in.ethanol.nh`	12.7	completed, 5 abs diff and 5 rel diff checks failed differs from step 80 on (output row 4)
✗ failed	`PACKAGES/drude/ethanol/in.ethanol.tgnh`	10.5	completed, 5 abs diff and 5 rel diff checks failed differs from step 80 on (output row 4)
✗ failed	`PACKAGES/drude/ethylene_glycol/in.ethylene_glycol`	6.3	completed, 3 abs diff and 4 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`PACKAGES/drude/swm4-ndp/in.swm4-ndp.lang`	18.5	completed, 5 abs diff and 5 rel diff checks failed differs from step 20 on (output row 1)
✗ failed	`PACKAGES/drude/swm4-ndp/in.swm4-ndp.nh`	17.6	completed, 5 abs diff and 5 rel diff checks failed differs from step 40 on (output row 2)
✗ failed	`PACKAGES/drude/toluene/in.toluene.lang`	18.0	completed, 3 abs diff and 4 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`PACKAGES/drude/toluene/in.toluene.nh`	19.9	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
✓ passed	`PACKAGES/edip/in.edip-Si`	0.6
✓ passed	`PACKAGES/edip/in.edip-Si-multi`	0.6
✓ passed	`PACKAGES/edip/in.edip-SiC`	0.6
✓ passed	`PACKAGES/ees/in.fix_wall`	0.6
✓ passed	`PACKAGES/ees/in.fix_wall_region`	0.9
✗ failed	`PACKAGES/eff/Auger-Adamantane/in.adamantane_ionized.nve`	34.4	completed, 7 abs diff and 7 rel diff checks failed differs from step 818 on (output row 1) the run needs 34 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/eff/Be-solid/in.Be-solid.spe`	3.3
✓ passed	`PACKAGES/eff/CH4/in.ch4.dynamics`	1.5
✓ passed	`PACKAGES/eff/CH4/in.ch4.min`	0.6
✓ passed	`PACKAGES/eff/CH4/in.ch4_ionized.dynamics`	21.9
✓ passed	`PACKAGES/eff/ECP/Si2H6/in.Si2H6`	0.6
✓ passed	`PACKAGES/eff/ECP/Si2H6/in.Si2H6.ang`	3.8
✓ passed	`PACKAGES/eff/ECP/SiC/bulk/in.SiC`	6.3
◉ runtest	`PACKAGES/eff/ECP/SiH4/in.SiH4`	0.5	completed, error parsing log.SiH4.4 into YAML
◉ runtest	`PACKAGES/eff/ECP/SiH4/in.SiH4.ang`	0.6	completed, error parsing log.SiH4.ang.4 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`	2.5
✓ passed	`PACKAGES/eff/H_plasma/in.h2bulk.npt`	10.7
✓ passed	`PACKAGES/eff/H_plasma/in.h2bulk.nve`	16.5
✓ passed	`PACKAGES/eff/H_plasma/in.h2bulk.nve.ang`	18.8
✓ passed	`PACKAGES/eff/Li-dendritic/in.Li-dendritic.min`	8.3
✓ passed	`PACKAGES/eff/Li-dendritic/in.Li-dendritic.nvt`	15.3
✓ passed	`PACKAGES/eff/Li-solid/in.Li.ang`	18.0
✓ passed	`PACKAGES/eff/Li-solid/in.Li.bohr`	12.3
✗ failed	`PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.ang`	1.9	completed, 3 abs diff and 5 rel diff checks failed differs from step 63 on (output row 1)
✓ passed	`PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.bohr`	0.8
✗ failed	`PACKAGES/eff/fixed-core/CH4/in.CH4fc.ang`	6.1	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`	1.0	completed, 4 abs diff and 4 rel diff checks failed differs from step 6390 on (output row 641)
✓ passed	`PACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.ang`	0.5
✓ passed	`PACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.bohr`	0.5
◉ runtest	`PACKAGES/electrode/au-aq/in.ffield`	39.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash the run needs 39 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost is in the setup); no reference ...
◉ runtest	`PACKAGES/electrode/au-aq/in.tf`	40.9	completed, no reference log file, only checked that a run shortened to 100 steps does not crash the run needs 41 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost is in the setup); no reference ...
◉ runtest	`PACKAGES/electrode/graph-il/in.conp`	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.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
◉ runtest	`PACKAGES/electrode/graph-il/in.conq`	4.9	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.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
◉ runtest	`PACKAGES/electrode/graph-il/in.conq2`	5.0	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.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
◉ runtest	`PACKAGES/electrode/graph-il/in.etypes`	4.9	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.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
◉ runtest	`PACKAGES/electrode/graph-il/in.ffield`	4.2	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
◉ runtest	`PACKAGES/electrode/graph-il/in.ramp`	4.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
◉ runtest	`PACKAGES/electrode/graph-il/in.thermo`	4.5	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.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
◉ runtest	`PACKAGES/electrode/madelung/in.cg`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
✓ passed	`PACKAGES/electrode/madelung/in.eta`	0.5
✓ passed	`PACKAGES/electrode/madelung/in.eta_cg`	0.6
✓ passed	`PACKAGES/electrode/madelung/in.eta_mix`	0.6
✗ failed	`PACKAGES/electrode/madelung/in.ewald-ew2d`	0.6	completed, 0 abs diff and 1 rel diff checks failed differs in the very first thermo output (last OK: 2026-07-28T00-52-56Z_73a17bb8cd)
◉ runtest	`PACKAGES/electrode/madelung/in.ewald-ew3dc`	0.6	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
◉ runtest	`PACKAGES/electrode/madelung/in.ewald-ffield`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
◉ runtest	`PACKAGES/electrode/madelung/in.pppm-ew3dc`	0.6	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
◉ runtest	`PACKAGES/electrode/madelung/in.pppm-ffield`	0.6	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
◴ timeout	`PACKAGES/electrode/piston/in.piston`	120.0	failed, no Total wall time in the output, timeout (120s expired) the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
✓ 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`	0.7
✓ passed	`PACKAGES/electrode/planar/in.planar-pppm-ffield`	1.0
✓ passed	`PACKAGES/electron_stopping/in.cascade_AlCu`	1.7
✓ passed	`PACKAGES/electron_stopping/in.cascade_SiSi`	3.4
✓ passed	`PACKAGES/electron_stopping/in.elstop`	5.8
✓ passed	`PACKAGES/electron_stopping/in.elstop.only`	1.2
◉ runtest	`PACKAGES/entropy/in.entropy`	0.8	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✗ failed	`PACKAGES/extep/in.extep-bn`	0.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 20 on (output row 2)
◉ 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`	0.8	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
◉ 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 no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/fep/CH4-CF4/bar01/in.bar01.lmp`	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.bar01.lmp.smoke.1, log.bar01.lmp.smoke.2, log.bar01.lmp.smoke.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/fep/CH4-CF4/bar10/in.bar10.lmp`	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.bar10.lmp.smoke.1, log.bar10.lmp.smoke.2, log.bar10.lmp.smoke.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/fep/CH4-CF4/fep01/in.fep01.lmp`	0.8	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/fep/CH4-CF4/fep10/in.fep10.lmp`	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.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
◉ 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 no reference log file matches this input, while log.fdti01.lmp.smoke.1, log.fdti01.lmp.smoke.2, log.fdti01.lmp.smoke.4 in this folder match no input script at all: check the names
◉ 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 no reference log file matches this input, while log.fdti10.lmp.smoke.1, log.fdti10.lmp.smoke.2, log.fdti10.lmp.smoke.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/fep/CH4hyd/fep01/in.fep01.lmp`	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.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/fep/CH4hyd/fep10/in.fep10.lmp`	1.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/fep/ta/in.spce.lmp`	2.5	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.spce.lmp.smoke.1, log.spce.lmp.smoke.2, log.spce.lmp.smoke.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/filter_corotate/in.bpti`	6.8	completed, error parsing log.bpti.4 into YAML
✗ failed	`PACKAGES/filter_corotate/in.peptide`	28.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 2)
✓ passed	`PACKAGES/flow_gauss/in.GD`	0.9
◉ runtest	`PACKAGES/gauss_diel/in.gauss-diel`	0.7	completed, error parsing log.gauss-diel.smoke.4 into YAML
◉ runtest	`PACKAGES/gauss_diel/in.gauss-diel-cg`	0.6	completed, error parsing log.gauss-diel-cg.smoke.4 into YAML
◉ runtest	`PACKAGES/gauss_diel/in.gauss-diel-split`	0.6	completed, error parsing log.gauss-diel-split.smoke.4 into YAML
✗ failed	`PACKAGES/gle/in.h2o-quantum`	4.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 1400 on (output row 14)
✗ failed	`PACKAGES/gle/in.h2o-smart`	3.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 1200 on (output row 12)
⚠ error	`PACKAGES/grem/lj-6rep/in.gREM`	1.0	failed, ERROR: Cannot open file restart_file: No such file or directory (src/read_data.cpp:382)
✗ failed	`PACKAGES/grem/lj-single/in.gREM-npt`	0.6	completed, 4 abs diff and 4 rel diff checks failed differs from step 10 on (output row 1) (last OK: 2026-07-28T00-52-56Z_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")
⚠ error	`PACKAGES/hdnnp/in.hdnnp`	0.5	failed, package not installed, ERROR: Unrecognized pair style 'hdnnp' is part of the ML-HDNNP package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/hdnnp/in.hybrid`	0.6	failed, package not installed, ERROR: Unrecognized pair style 'hdnnp' is part of the ML-HDNNP package which is not enabled in this LAMMPS binary.
◉ runtest	`PACKAGES/hma/in.hma`	27.4	completed, but no Step nor Loop in the output
✓ passed	`PACKAGES/ilves/in.cg-polymers`	1.2
✓ passed	`PACKAGES/ilves/in.covid`	26.7
◉ runtest	`PACKAGES/ilves/in.dimer`	0.7	completed, error parsing log.dimer.4 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-allbonds`	1.7	completed, error parsing log.peptide-allbonds.4 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-fixed`	1.5	completed, error parsing log.peptide-fixed.4 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-ilves`	1.5	completed, error parsing log.peptide-ilves.4 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-mix`	1.6	completed, error parsing log.peptide-mix.4 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-rattle`	1.6	completed, error parsing log.peptide-rattle.4 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-shake`	1.4	completed, error parsing log.peptide-shake.4 into YAML
✓ passed	`PACKAGES/ilves/in.polymelt`	8.2
◉ runtest	`PACKAGES/ilves/in.rhodo-allbonds`	13.4	completed, error parsing log.rhodo-allbonds.4 into YAML
◉ runtest	`PACKAGES/ilves/in.rhodo-ilves`	11.4	completed, error parsing log.rhodo-ilves.4 into YAML
◉ runtest	`PACKAGES/ilves/in.rhodo-shake`	11.2	completed, error parsing log.rhodo-shake.4 into YAML
○ skipped	`PACKAGES/imd/in.bucky-plus-cnt`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.bucky-plus-cnt-gpu`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala-solv-filter_imd`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala-solv_imd`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala-solv_imd_v3`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala_imd`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala_imd-gpu`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.melt_imd`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.melt_imd-gpu`	0.0	skipped as specified in the test configuration
✗ failed	`PACKAGES/interlayer/aip_water_2dm/in.gr_water`	7.3	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/interlayer/aip_water_2dm/in.gr_water.opt`	4.2	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/interlayer/drip/in.CH_drip`	1.0	completed, 2 abs diff and 2 rel diff checks failed differs from step 30 on (output row 3)
✓ passed	`PACKAGES/interlayer/drip/in.C_drip`	0.8
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene`	15.0
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBN`	17.1
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.grhBN`	17.0
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn`	16.5
✗ failed	`PACKAGES/interlayer/ilp_tmds/in.mos2`	12.3	completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`PACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphene`	15.1
✓ passed	`PACKAGES/interlayer/kolmogorov_crespi_z/in.atom-diffusion`	0.9
✓ passed	`PACKAGES/interlayer/kolmogorov_crespi_z/in.bilayer-graphene`	0.8
✓ passed	`PACKAGES/interlayer/saip_metal/in.gold_gr`	2.6
✗ failed	`PACKAGES/interlayer/saip_metal_tmd/in.au_mos2`	13.9	completed, 3 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
⚠ error	`PACKAGES/ipi/in.graphene`	1.0	failed, ERROR on proc 0: Error opening UNIX socket: server may not be running or the path to the socket unavailable (src/MISC/fix_ipi.cpp:131)
◴ timeout	`PACKAGES/latboltz/confined_colloid/in.confined_colloids`	120.1	failed, no Total wall time in the output, timeout (120s expired) the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
◴ timeout	`PACKAGES/latboltz/diffusingsphere/in.trapnewsphere`	120.1	failed, no Total wall time in the output, timeout (120s expired) the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/latboltz/dragforce/in.dragtest`	80.6	the run needs 81 s: a production sized run that should be shortened in the repository
◴ timeout	`PACKAGES/latboltz/microrheology/in.microrheology`	120.0	failed, no Total wall time in the output, timeout (120s expired) the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/latboltz/pit_geometry/in.pits`	53.8	the run needs 54 s: a production sized run that should be shortened in the repository
◴ timeout	`PACKAGES/latboltz/planewall/in.planewall`	120.0	failed, no Total wall time in the output, timeout (120s expired) the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
◴ timeout	`PACKAGES/latboltz/polymer/in.polymer`	120.1	failed, no Total wall time in the output, timeout (120s expired) the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
◴ timeout	`PACKAGES/latboltz/toycar/in.toycar`	120.0	failed, no Total wall time in the output, timeout (120s expired) the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
◴ timeout	`PACKAGES/latboltz/translocation/in.translocation`	120.0	failed, no Total wall time in the output, timeout (120s expired) the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
◉ runtest	`PACKAGES/local_density/benzene_water/in.benzene_water`	14.1	completed, but no Step nor Loop in the output
◉ runtest	`PACKAGES/local_density/methanol_implicit_water/in.methanol_implicit_water`	14.9	completed, but no Step nor Loop in the output
✓ passed	`PACKAGES/machdyn/aluminum_strip_pull/in.aluminum_strip_pull`	0.9
✗ failed	`PACKAGES/machdyn/fluid_structure_interaction/in.fluid_structure_interaction`	11.7	completed, 1 abs diff and 1 rel diff checks failed differs from step 4000 on (output row 40) (last OK: 2026-08-08T09-03-18Z_227ecb2da6)
✗ failed	`PACKAGES/machdyn/funnel_flow/in.funnel_flow`	11.0	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`	6.6	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`	1.1
✗ failed	`PACKAGES/manybody_table/in.spce`	1.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 600 on (output row 6)
✗ failed	`PACKAGES/manybody_table/in.spce2`	1.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 600 on (output row 6)
✓ passed	`PACKAGES/manybody_table/in.spce_sw`	1.5
✗ failed	`PACKAGES/mbx/256h2o/in.256h2o`	24.5	completed, 4 abs diff and 4 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/mbx/256h2o_dipole/in.256h2o_dipole`	23.0	completed, 4 abs diff and 4 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/mbx/mof_ff_lammps+1_h2o_mbx/in.mof_1h2o`	9.3	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
◴ timeout	`PACKAGES/mbx/na+_slab/in.na+_slab`	120.0	failed, no Total wall time in the output, timeout (120s expired) the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/meam_spline/in.meam-spline.Si`	0.8
✓ passed	`PACKAGES/meam_spline/in.meam-spline.TiO2`	18.0
✓ passed	`PACKAGES/meam_sw_spline/Si/in.bcc`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Si/in.bcc_relax`	1.0
✓ passed	`PACKAGES/meam_sw_spline/Si/in.dc`	0.6
✗ 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`	2.7
✓ passed	`PACKAGES/meam_sw_spline/Si/in.fcc`	0.6
✓ passed	`PACKAGES/meam_sw_spline/Si/in.fcc_relax`	1.3
✗ 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`	0.8
✓ passed	`PACKAGES/meam_sw_spline/Si/in.single_atom`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.alpha`	0.6
✗ failed	`PACKAGES/meam_sw_spline/Ti/in.alpha_relaxation`	0.8	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`	14.7	completed, 2 abs diff and 2 rel diff checks failed differs from step 140 on (output row 14)
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.fcc`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.hexagonal`	0.6
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.omega`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.single_atom`	0.6
✓ passed	`PACKAGES/mesont/in.film_mesocnt`	4.2
✓ passed	`PACKAGES/mgpt/in.bcc0`	0.6
✓ passed	`PACKAGES/mgpt/in.vac0-bcc`	0.5
✓ passed	`PACKAGES/mgpt/in.vacmin-bcc`	1.7
✓ passed	`PACKAGES/ml-runner/in.ml-runner.H2O`	1.1
◉ runtest	`PACKAGES/mofff/in.hkust1`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.26Apr26.khust1.g++.1, log.26Apr26.khust1.g++.4, log.26Apr26.khust1_long.g++.1, ... in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/mofff/in.hkust1_long`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.26Apr26.khust1.g++.1, log.26Apr26.khust1.g++.4, log.26Apr26.khust1_long.g++.1, ... in this folder match no input script at all: check the names
✓ passed	`PACKAGES/momb/in.system`	7.1
⚠ error	`PACKAGES/moments/in.converge`	0.4	failed, ERROR on proc 0: cannot open eam/alloy potential file AlCu.eam.alloy: No such file or directory (src/potential_file_reader.cpp:58)
⚠ error	`PACKAGES/moments/in.simple`	0.5	failed, ERROR on proc 0: cannot open eam/alloy potential file AlCu.eam.alloy: No such file or directory (src/potential_file_reader.cpp:58)
⚠ error	`PACKAGES/moments/in.valtest`	0.5	failed, ERROR on proc 0: cannot open eam/alloy potential file AlCu.eam.alloy: No such file or directory (src/potential_file_reader.cpp:58)
◉ runtest	`PACKAGES/momentum/in.momentum`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✓ passed	`PACKAGES/mop/in.compute_stress_mop`	0.6
✗ failed	`PACKAGES/neighbor-swap/in.KMC_pulse_center`	13.1	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`	13.3	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`	29.6
✓ passed	`PACKAGES/pace/compute/in.compute`	0.5
✓ passed	`PACKAGES/pace/in.pace.product`	2.3
✓ passed	`PACKAGES/pace/in.pace.recursive`	1.8
✗ failed	`PACKAGES/pafi/in.pafi`	1.5	completed, 0 abs diff and 2 rel diff checks failed differs from step 500 on (output row 8)
✗ failed	`PACKAGES/pedone/in.pedone.melt`	3.6	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/pedone/in.pedone.relax`	4.9	failed, thermo checks skipped due to mismatched number of steps in the log files
◉ 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
✓ passed	`PACKAGES/phonon/2-1D-diatomic/in.Ana`	34.3	the run needs 34 s: a production sized run that should be shortened in the repository
○ skipped	`PACKAGES/phonon/2-1D-diatomic/in.disp`	0.0	skipped as specified in the test configuration
◉ 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")
✗ failed	`PACKAGES/plumed/in.peptide-plumed`	0.9	completed, 2 abs diff and 2 rel diff checks failed differs from step 10 on (output row 1)
⚠ error	`PACKAGES/pod/InP/in.fitpod.InP`	0.6	failed, ERROR: Cannot fit potential without data files. The data paths may not be valid. Please check the data paths in the POD data file. (src/ML-POD/fitpod_command.cpp:708)
✓ passed	`PACKAGES/pod/InP/in.pod.InP`	1.1
◉ 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
⚠ error	`PACKAGES/pod/Ta/in.pod.compute`	0.6	failed, ERROR: compute command does not support multi processors (src/ML-POD/compute_pod_atom.cpp:42)
✓ passed	`PACKAGES/ptm/in.ptm`	0.5
✗ failed	`PACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst`	12.0	completed, 3 abs diff and 4 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/qtb/alpha_quartz_qtb/in.alpha_quartz_qtb`	4.1	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/qtb/methane_qbmsst/in.methane_qbmsst`	33.4	completed, 2 abs diff and 3 rel diff checks failed differs from step 40 on (output row 2) the run needs 33 s: a production sized run that should be shortened in the repository
✗ failed	`PACKAGES/qtb/methane_qtb/in.methane_qtb`	5.0	completed, 1 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`PACKAGES/quip/in.gap`	1.3
✓ passed	`PACKAGES/quip/in.molecular`	0.6
✓ passed	`PACKAGES/quip/in.sw`	1.4
✗ failed	`PACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene`	5.6	completed, 2 abs diff and 2 rel diff checks failed differs from step 300 on (output row 3)
✓ passed	`PACKAGES/reaction/nylon,6-6_melt/in.large_nylon_melt`	14.3
✓ passed	`PACKAGES/reaction/tiny_epoxy/in.tiny_epoxy.stabilized`	0.9
✗ failed	`PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized`	3.0	completed, 2 abs diff and 2 rel diff checks failed differs from step 700 on (output row 14)
✗ failed	`PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized_variable_probability`	0.6	completed, 0 abs diff and 1 rel diff checks failed differs from step 400 on (output row 8)
✓ passed	`PACKAGES/reaction/tiny_nylon/in.tiny_nylon.unstabilized`	0.7
✗ failed	`PACKAGES/reaction/tiny_nylon_json/in.tiny_nylon.stabilized`	2.6	completed, 2 abs diff and 2 rel diff checks failed differs from step 700 on (output row 14)
◉ runtest	`PACKAGES/reaction/tiny_nylon_wildcards/in.tiny_nylon.stabilized`	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.11Feb2026.tiny_nylon_stabilized.g++.1, log.11Feb2026.tiny_nylon_stabilized.g++.4, log.tiny_nylon.stabilized.smoke.1, ... in this folder match no inp ...
✗ failed	`PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized`	9.0	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
✗ failed	`PACKAGES/rhok/in.crystal`	6.3	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`PACKAGES/rhok/in.pinning`	6.7	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/rhok/in.setup`	5.6	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
⚠ error	`PACKAGES/scafacos/in.scafacos`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.cw.ewald`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.cw.fmm`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.cw.p2nfft`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.cw.p3m`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.ewald`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.fmm`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.hsph.direct`	0.6	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.hsph.fmm`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.hsph.p2nfft`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.p2nfft`	0.6	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.p3m`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
✓ passed	`PACKAGES/shock/hugoniostat/in.hugoniostat`	3.0
✓ passed	`PACKAGES/shock/msst/in.msst`	2.0
✗ failed	`PACKAGES/shock/nemd/in.nemd`	4.3	completed, 8 abs diff and 8 rel diff checks failed differs from step 800 on (output row 12)
◉ runtest	`PACKAGES/slater/in.slater`	5.9	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/smtbq/in.smatbAgCuPancake`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/smtbq/in.smatbBulkFCC`	0.6	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/smtbq/in.smtbq.Al`	1.2	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/smtbq/in.smtbq.Al2O3`	53.8	completed, numerical checks skipped due to missing the reference log file the run needs 54 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, .. ...
◴ timeout	`PACKAGES/smtbq/in.smtbq.TiO2`	120.0	failed, no Total wall time in the output, timeout (120s expired) the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
⚠ error	`PACKAGES/sna_nnn_slcsa/in.slcsa`	0.6	failed, ERROR: Invalid compute slcsa/atom argument: slcsa (src/EXTRA-COMPUTE/compute_slcsa_atom.cpp:115)
✓ passed	`PACKAGES/srp/in.srp`	2.1
✓ passed	`PACKAGES/srp_react/in.srp_react`	23.7
✓ passed	`PACKAGES/stressprofile/in.cylinder`	1.3
✓ passed	`PACKAGES/stressprofile/in.flat`	1.0
✓ passed	`PACKAGES/stressprofile/in.sphere`	0.9
✓ passed	`PACKAGES/symmetry/in.lj_binary_fcc_pinv`	0.6
✓ passed	`PACKAGES/symmetry/in.lj_diamond_pinv`	0.6
✓ passed	`PACKAGES/symmetry/in.lj_fcc_pinv`	0.5
✓ passed	`PACKAGES/symmetry/in.lj_pinv`	0.5
✓ passed	`PACKAGES/symmetry/in.lj_pm_wyckoff`	0.5
✓ passed	`PACKAGES/symmetry/in.sic_c2`	0.6
✓ passed	`PACKAGES/tally/in.force`	1.1
✓ passed	`PACKAGES/tally/in.pe`	1.0
✓ passed	`PACKAGES/tally/in.stress`	1.2
○ skipped	`PACKAGES/temper_npt/in.temper_npt`	0.0	skipped, needs a multi-partition run ("temper/npt")
◉ runtest	`PACKAGES/ti/in.ti_spring`	0.6	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.4 into YAML
✓ passed	`PACKAGES/uef/npt_biaxial/in.npt_biaxial`	1.5
✓ passed	`PACKAGES/uef/nvt_uniaxial/in.nvt_uniaxial`	1.5
✓ passed	`PACKAGES/uf3/in.uf3.Nb`	0.6
◉ runtest	`PACKAGES/vtk/in.vtk`	0.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/vtk/in.vtp`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/yaff/mil53al/in.mil53a`	3.7	completed, error parsing log.mil53a.4 into YAML
◉ runtest	`PACKAGES/yaff/mof5/in.mof5`	1.1	completed, error parsing log.mof5.4 into YAML
⚠ error	`QUANTUM/LATTE/in.ch4`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.ch4.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.graphene`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.graphene.plugin`	0.6	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.series`	0.6	failed, ERROR: Cannot use mdi connect with plugin engine (src/MDI/mdi_command.cpp:58)
⚠ error	`QUANTUM/LATTE/in.series.plugin`	0.6	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.sucrose`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.sucrose.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.uo2`	0.6	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.uo2.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.water`	0.6	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.water.min`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.water.min.plugin`	0.6	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.water.plugin`	0.6	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/NWChem/in.series`	0.5	failed, ERROR: MDI unable to connect to stand-alone engine (src/MDI/mdi_command.cpp:56)
⚠ error	`QUANTUM/NWChem/in.series.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
◉ runtest	`QUANTUM/NWChem/in.water.mm`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.22Mar23.series.plugin.w.bcc.1, log.22Mar23.series.plugin.w.diamond.1, log.22Mar23.series.plugin.w.sc_001.1, ... in this folder match no input script ...
⚠ error	`QUANTUM/NWChem/in.water.qmmm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/NWChem/in.water.qmmm.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
◉ runtest	`QUANTUM/NWChem/in.zeolite.mm`	0.6	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.22Mar23.series.plugin.w.bcc.1, log.22Mar23.series.plugin.w.diamond.1, log.22Mar23.series.plugin.w.sc_001.1, ... in this folder match no input script ...
⚠ error	`QUANTUM/NWChem/in.zeolite.qmmm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/NWChem/in.zeolite.qmmm.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
✗ failed	`QUANTUM/PySCF/in.mixture.mm`	0.7	completed, 1 abs diff and 0 rel diff checks failed differs in the very first thermo output (last OK: 2026-07-28T00-52-56Z_73a17bb8cd)
⚠ error	`QUANTUM/PySCF/in.mixture.qmmm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/PySCF/in.mixture.qmmm.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/PySCF/in.water.qmmm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/PySCF/in.water.qmmm.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
✗ failed	`SPIN/bfo/in.spin.bfo`	2.1	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`SPIN/cobalt_fcc/in.spin.cobalt_fcc`	2.1
✗ failed	`SPIN/cobalt_hcp/in.spin.cobalt_hcp`	2.6	completed, 4 abs diff and 4 rel diff checks failed differs in the very first thermo output
✓ passed	`SPIN/dipole_spin/in.spin.iron_dipole_cut`	1.8
✗ failed	`SPIN/dipole_spin/in.spin.iron_dipole_ewald`	2.5	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`SPIN/dipole_spin/in.spin.iron_dipole_pppm`	2.7	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
○ 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`	1.2	completed, 4 abs diff and 4 rel diff checks failed differs in the very first thermo output
✗ failed	`SPIN/iron/in.spin.iron_cubic`	1.8	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✓ passed	`SPIN/nickel/in.spin.nickel`	2.3
✓ passed	`SPIN/nickel/in.spin.nickel_cubic`	2.4
✓ passed	`SPIN/read_restart/in.spin.read_data`	2.0
✓ passed	`SPIN/read_restart/in.spin.restart`	1.0
✓ passed	`SPIN/read_restart/in.spin.write_restart`	1.5
⚠ error	`SPIN/setforce_spin/in.spin.setforce`	1.2	failed, no Total wall time in the output,
✓ passed	`SPIN/spinmin/in.spin.bfo_min`	1.9
✓ passed	`SPIN/spinmin/in.spin.bfo_min_cg`	1.5
✓ passed	`SPIN/spinmin/in.spin.bfo_min_lbfgs`	0.6
✓ passed	`SPIN/spinmin/in.spin.iron_min`	0.6
⚠ error	`SPIN/test_problems/validation_nve/in.spin.iron-nve`	0.5	failed, ERROR: Illegal sectoring operation resulting in 2 sectors instead of 8 (src/SPIN/fix_nve_spin.cpp:609) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11Mar25.spin.iron-nve.g++.1, which was written with 1 MPI processes instead of 4
⚠ error	`SPIN/test_problems/validation_nvt/in.spin.nvt_lattice`	0.5	failed, ERROR: Illegal sectoring operation resulting in 2 sectors instead of 8 (src/SPIN/fix_nve_spin.cpp:609) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11Mar25.spin.nvt_lattice.g++.1, which was written with 1 MPI processes instead of 4
⚠ error	`SPIN/test_problems/validation_nvt/in.spin.nvt_spin`	0.6	failed, ERROR: Illegal sectoring operation resulting in 2 sectors instead of 8 (src/SPIN/fix_nve_spin.cpp:609) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11Mar25.spin.nvt_spin.g++.1, which was written with 1 MPI processes instead of 4
✓ passed	`UNITS/in.ar.lj`	0.6
✓ passed	`UNITS/in.ar.metal`	0.5
✓ passed	`UNITS/in.ar.real`	0.5
✗ failed	`VISCOSITY/in.cos.1000SPCE`	9.0	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output
✗ failed	`VISCOSITY/in.einstein.2d`	15.4	completed, 6 abs diff and 6 rel diff checks failed differs from step 2000 on (output row 1), but the thermo output is too sparse to tell when it started velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Oct16.einstein.2d.g++.1, which was written with 1 MPI processes instead of 4
✗ failed	`VISCOSITY/in.gk.2d`	15.8	completed, 5 abs diff and 5 rel diff checks failed differs from step 2000 on (output row 1), but the thermo output is too sparse to tell when it started velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Oct16.gk.2d.g++.1, which was written with 1 MPI processes instead of 4
✗ failed	`VISCOSITY/in.mp.2d`	2.3	completed, 7 abs diff and 7 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Oct16.mp.2d.g++.1, which was written with 1 MPI processes instead of 4
✗ failed	`VISCOSITY/in.nemd.2d`	6.1	completed, 8 abs diff and 8 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Feb26.nemd.2d.g++.1, which was written with 1 MPI processes instead of 4
✗ failed	`VISCOSITY/in.wall.2d`	2.9	completed, 4 abs diff and 4 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Oct16.wall.2d.g++.1, which was written with 1 MPI processes instead of 4
✓ passed	`airebo/in.airebo`	13.2
✓ passed	`airebo/in.airebo-0-0`	1.5
✓ passed	`airebo/in.airebo-bc`	13.6
✓ passed	`airebo/in.airebo-m`	14.3
✓ passed	`airebo/in.rebo2`	1.6
✓ passed	`amoeba/in.ubiquitin`	3.2
✓ passed	`amoeba/in.water_box.amoeba`	3.1
✓ passed	`amoeba/in.water_box.hippo`	2.9
✗ failed	`amoeba/in.water_dimer.amoeba`	0.6	completed, 1 abs diff and 0 rel diff checks failed differs in the very first thermo output
✗ failed	`amoeba/in.water_dimer.hippo`	0.5	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✗ failed	`amoeba/in.water_hexamer.amoeba`	0.5	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✗ failed	`amoeba/in.water_hexamer.hippo`	0.6	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✓ passed	`atm/in.atm`	3.5
✗ 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`	0.9	completed, 2 abs diff and 2 rel diff checks failed differs from step 2500 on (output row 25)
✓ passed	`balance/in.balance.bond.slow`	1.4
✗ failed	`balance/in.balance.clock.dynamic`	5.4	completed, 0 abs diff and 3 rel diff checks failed differs from step 1600 on (output row 35)
✓ passed	`balance/in.balance.clock.static`	2.1
✓ passed	`balance/in.balance.group.dynamic`	1.3
✓ passed	`balance/in.balance.group.static`	1.2
✗ failed	`balance/in.balance.kspace`	2.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 300 on (output row 6)
✓ passed	`balance/in.balance.neigh.dynamic`	4.9
✓ passed	`balance/in.balance.neigh.rcb`	1.6
✓ passed	`balance/in.balance.neigh.static`	3.1
✗ failed	`balance/in.balance.var.dynamic`	6.1	completed, 0 abs diff and 3 rel diff checks failed differs from step 1700 on (output row 37)
✓ passed	`body/in.body`	0.9
✗ failed	`body/in.cubes`	9.2	completed, 2 abs diff and 2 rel diff checks failed differs from step 1000 on (output row 1)
✓ passed	`body/in.pour3d`	0.7
✗ failed	`body/in.squares`	2.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
✗ failed	`body/in.wall2d`	3.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
◉ runtest	`bpm/impact/in.bpm.impact.rotational`	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.bpm.impact.rotational.1, log.bpm.impact.rotational.2, log.bpm.impact.rotational.4, ... in this folder match no input script at all: check the names
✗ failed	`bpm/impact/in.bpm.impact.spring`	3.9	completed, 0 abs diff and 1 rel diff checks failed differs from step 300 on (output row 3)
✓ passed	`bpm/metamaterial/in.bpm.metamaterial`	55.9	the run needs 56 s: a production sized run that should be shortened in the repository
◉ runtest	`bpm/peri/benchmark/in.bench.bpm.pmb`	0.8	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.bench.bpm.pmb.1, log.bench.bpm.pmb.2, log.bench.bpm.pmb.4, ... in this folder match no input script at all: check the names
◉ runtest	`bpm/peri/benchmark/in.bench.legacy.pmb`	1.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.bench.bpm.pmb.1, log.bench.bpm.pmb.2, log.bench.bpm.pmb.4, ... in this folder match no input script at all: check the names
◉ runtest	`bpm/peri/in.bpm.peri.eps`	1.1	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.bpm.peri.eps.1, log.bpm.peri.eps.2, log.bpm.peri.eps.4, ... in this folder match no input script at all: check the names
⚠ error	`bpm/peri/in.bpm.peri.lps`	1.1	failed, ERROR: Fix ID dmg for compute reduce does not exist (src/compute_reduce.cpp:309)
⚠ error	`bpm/peri/in.bpm.peri.pmb`	1.0	failed, ERROR: Fix ID dmg for compute reduce does not exist (src/compute_reduce.cpp:309)
⚠ error	`bpm/peri/in.bpm.peri.ves`	1.3	failed, ERROR: Fix ID dmg for compute reduce does not exist (src/compute_reduce.cpp:309)
✗ failed	`bpm/plasticity/in.bpm.plasticity`	39.3	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 4; the run needs 39 s: a pro ...
✗ failed	`bpm/poissons_ratio/in.bpm.poissons_ratio`	12.6	completed, 1 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 4
◴ timeout	`bpm/pour/in.bpm.pour`	120.0	failed, no Total wall time in the output, timeout (120s expired) the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
✓ passed	`bpm/wires/in.bpm.wires`	6.7
✗ failed	`charmmfsw/in.charmmfsw`	4.4	completed, 2 abs diff and 1 rel diff checks failed differs from step 20 on (output row 2)
✗ failed	`cmap/in.cmap`	1.7	completed, 1 abs diff and 1 rel diff checks failed differs from step 12000 on (output row 12)
✗ failed	`colloid/in.colloid`	3.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 6000 on (output row 6)
✓ passed	`comb/in.comb.Cu`	0.6
✓ passed	`comb/in.comb.Cu2O.elastic`	4.9
✓ passed	`comb/in.comb.HfO2`	1.3
✓ passed	`comb/in.comb.Si`	0.7
✓ passed	`comb/in.comb.Si.elastic`	0.6
✓ passed	`comb/in.comb3`	3.5
✓ passed	`controller/in.controller.temp`	2.3
✗ failed	`controller/in.controller.wall`	5.8	completed, 2 abs diff and 2 rel diff checks failed differs from step 500 on (output row 1)
✗ failed	`coreshell/in.coreshell`	2.8	completed, 7 abs diff and 9 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`coreshell/in.coreshell.dsf`	5.1
✗ failed	`coreshell/in.coreshell.thermostats`	4.0	completed, 12 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`	1.1
✗ failed	`deposit/in.deposit.atom`	2.7	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output
✗ failed	`deposit/in.deposit.molecule`	2.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 200 on (output row 2)
✓ passed	`deposit/in.deposit.molecule.rigid-nve-small`	4.0
✓ passed	`deposit/in.deposit.molecule.rigid-nvt-small`	3.6
✓ passed	`deposit/in.deposit.molecule.rigid-small`	4.0
✗ failed	`deposit/in.deposit.molecule.shake`	3.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 200 on (output row 2)
✓ passed	`dipole/in.charge_dipole`	7.5
✓ passed	`dipole/in.dipole`	0.7
◉ runtest	`dreiding/in.dreiding`	0.6	completed, error parsing log.dreiding.4 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`	0.9	completed, 2 abs diff and 2 rel diff checks failed differs from step 2300 on (output row 24)
✗ failed	`ellipse/in.ellipse.resquared`	1.2	completed, 0 abs diff and 2 rel diff checks failed differs from step 2900 on (output row 30)
✓ passed	`fire/in.abcfire`	0.6
✗ failed	`fire/in.abcfire_mod`	0.9	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`fire/in.cg`	0.6
✗ failed	`fire/in.fire`	0.6	completed, 0 abs diff and 1 rel diff checks failed differs from step 1900 on (output row 29)
✗ failed	`fire/in.fire_mod`	0.6	completed, 0 abs diff and 1 rel diff checks failed differs from step 1950 on (output row 30)
✓ passed	`fire/in.meam.abcfire`	10.5
✓ passed	`fire/in.meam.fire`	15.3
○ 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`	0.7	completed, 2 abs diff and 2 rel diff checks failed differs from step 2500 on (output row 5)
✗ failed	`flow/in.flow.pois`	0.6	completed, 2 abs diff and 2 rel diff checks failed differs from step 3000 on (output row 6)
✗ failed	`friction/in.friction`	1.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 10000 on (output row 10)
✓ passed	`gjf/in.gjf.vfull`	3.9
✓ passed	`gjf/in.gjf.vhalf`	3.6
✗ failed	`granregion/in.granregion.box`	0.8	completed, 7 abs diff and 10 rel diff checks failed differs from step 400 on (output row 4)
✓ passed	`granregion/in.granregion.funnel`	43.6	the run needs 44 s: a production sized run that should be shortened in the repository
✓ passed	`granregion/in.granregion.mixer`	16.9
✓ passed	`gransurf/in.line.gran.data`	0.9
✓ passed	`gransurf/in.line.gran.global`	0.6
✓ passed	`gransurf/in.line.gran.surf`	0.8
✓ passed	`gransurf/in.screwfeeder.local`	84.7	the run needs 85 s: a production sized run that should be shortened in the repository
✓ passed	`gransurf/in.tri.gran.data`	1.0
✓ passed	`gransurf/in.tri.gran.global`	0.7
✓ passed	`gransurf/in.tri.gran.global.stl`	0.7
✓ passed	`gransurf/in.tri.gran.surf`	0.8
✓ passed	`gransurf/in.tri.gran.surf.stl`	0.7
✓ passed	`gransurf/in.tribox.gran.data`	1.5
✓ passed	`gransurf/in.tribox.gran.global`	1.2
✓ passed	`gransurf/in.tribox.gran.global.stl`	0.8
✓ passed	`gransurf/in.tribox.gran.surf`	1.4
✓ passed	`gransurf/in.tribox.gran.surf.stl`	1.6
✓ passed	`granular/in.pour.drum`	3.6
✓ passed	`granular/in.pour.flatwall`	3.0
✓ passed	`granular/in.pour.heat`	25.1
✓ passed	`granular/in.restitution`	2.4
✓ passed	`granular/in.sync_verlet`	1.4
✓ passed	`granular/in.tableting.200`	12.1
✓ passed	`granular/in.triaxial.compaction.12`	1.6
✓ passed	`grid/in.grid.2d`	0.6
✓ passed	`grid/in.grid.3d`	0.7
✓ passed	`grid/in.sph`	9.5
✗ failed	`hyper/in.hyper.global`	16.8	completed, 291 abs diff and 291 rel diff checks failed differs from step 4000 on (output row 26)
✗ failed	`hyper/in.hyper.local`	3.7	failed, thermo checks skipped due to mismatched log files after the first run
✗ failed	`indent/in.indent`	1.7	completed, 6 abs diff and 6 rel diff checks failed differs from step 21000 on (output row 21)
✗ failed	`indent/in.indent.min`	0.5	failed, thermo checks skipped due to mismatched number of steps in the log files
⚠ error	`kim/in.kim-ex.melt`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init LennardJones_Ar real (src/input.cpp:308)
⚠ error	`kim/in.kim-pm-property`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init LJ_Shifted_Bernardes_1958MedCutoff_Ar__MO_126566794224_004 metal (src/input.cpp:308)
⚠ error	`kim/in.kim-pm-query.melt`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init SW_StillingerWeber_1985_Si__MO_405512056662_005 real (src/input.cpp:308)
⚠ error	`kim/in.kim-pm.melt`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init SW_StillingerWeber_1985_Si__MO_405512056662_005 real (src/input.cpp:308)
⚠ error	`kim/in.kim-query`	0.6	failed, unknown command, package not installed, ERROR: Unknown command: kim init EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005 metal (src/input.cpp:308)
⚠ error	`kim/in.kim-sm.melt`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_000 real (src/input.cpp:308)
✓ passed	`kim/in.lammps.melt`	1.1
✗ failed	`mc/in.gcmc.co2`	17.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 7000 on (output row 7)
✗ failed	`mc/in.gcmc.h2o`	51.5	completed, 6 abs diff and 6 rel diff checks failed differs from step 1000 on (output row 1) the run needs 52 s: a production sized run that should be shortened in the repository
✓ passed	`mc/in.gcmc.lj`	15.6
✓ passed	`mc/in.gcmc.region`	8.4
✓ passed	`mc/in.gcmc.restart`	7.1
○ skipped	`mc/in.gemc.lj`	0.0	skipped, needs a multi-partition run ("partition")
✗ failed	`mc/in.hmc.flexible.melt`	5.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 5250 on (output row 106)
✗ failed	`mc/in.hmc.rigid`	7.9	completed, 6 abs diff and 6 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`mc/in.mixed`	12.7
✓ passed	`mc/in.pure`	12.9
✓ passed	`mc/in.sgcmc.eam`	13.3
✓ passed	`mc/in.widom.lj`	1.3
⚠ error	`mc/in.widom.spce`	0.6	failed, ERROR: fix widom does currently not support full_energy option with molecules on more than 1 MPI process. (src/MC/fix_widom.cpp:463)
✓ passed	`mdi/in.aimd.alone`	0.6
⚠ error	`mdi/in.aimd.driver`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.aimd.driver.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.aimd.engine`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
⚠ error	`mdi/in.aimdpy.mm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
⚠ error	`mdi/in.aimdpy.qm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
⚠ error	`mdi/in.sequence.python`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
✓ passed	`mdi/in.series.alone`	0.5
⚠ error	`mdi/in.series.driver`	0.6	failed, ERROR: MDI unable to connect to stand-alone engine (src/MDI/mdi_command.cpp:56)
⚠ error	`mdi/in.series.driver.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.series.engine`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
✓ passed	`mdi/in.snapshot.alone`	0.6
⚠ error	`mdi/in.snapshot.driver`	0.6	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.snapshot.driver.plugin`	1.0	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.snapshot.engine`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
✓ passed	`meam/in.meam`	0.5
✗ failed	`meam/in.meam.shear`	7.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 1500 on (output row 20)
✓ passed	`meam/msmeam/in.msmeam`	0.5
✓ passed	`melt/in.melt`	0.6
✗ failed	`mesh/in.marble_race`	60.8	completed, 5 abs diff and 5 rel diff checks failed differs in the very first thermo output the run needs 61 s: a production sized run that should be shortened in the repository
✗ failed	`mesh/in.mesh_box`	3.1	completed, 3 abs diff and 3 rel diff checks failed differs from step 1400 on (output row 8)
✗ failed	`micelle/in.micelle`	0.6	completed, 0 abs diff and 1 rel diff checks failed differs from step 1000 on (output row 41)
✗ 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)
✓ passed	`min/in.min`	0.5
✗ failed	`min/in.min.box`	1.1	failed, thermo checks skipped due to mismatched number of steps in the log files
◉ runtest	`mliap/in.mliap.ace.compute`	0.6	completed, but no Step nor Loop in the output
✓ passed	`mliap/in.mliap.nn.Cu`	1.5
✓ passed	`mliap/in.mliap.nn.Ta06A`	0.8
⚠ error	`mliap/in.mliap.pytorch.Ta06A`	0.6	failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:172)
⚠ error	`mliap/in.mliap.pytorch.ace`	0.5	failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:172)
⚠ error	`mliap/in.mliap.pytorch.ace.NN`	0.5	failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:172)
⚠ error	`mliap/in.mliap.pytorch.relu1hidden`	1.3	failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:172)
◉ runtest	`mliap/in.mliap.quadratic.compute`	0.6	completed, but no Step nor Loop in the output
✓ passed	`mliap/in.mliap.snap.Ta06A`	0.8
✓ passed	`mliap/in.mliap.snap.WBe.PRB2019`	1.0
✓ passed	`mliap/in.mliap.snap.chem`	3.4
◉ runtest	`mliap/in.mliap.snap.compute`	0.5	completed, but no Step nor Loop in the output
✓ passed	`mliap/in.mliap.snap.quadratic`	0.9
◉ runtest	`mliap/in.mliap.so3.Ni_Mo`	0.6	completed, but no Step nor Loop in the output
✓ passed	`mliap/in.mliap.so3.nn.Si`	1.3
⚠ error	`mliap/in.mliap.unified.lj.Ar`	0.5	failed, ERROR: Could not process Python string:
⚠ error	`mliap/jax/in.run`	1.0	failed, ERROR: Using pair_style mliap unified requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:212)
✗ failed	`multi/in.colloid`	0.7	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`multi/in.granular`	0.8	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`multi/in.powerlaw`	1.1	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`nb3b/in.nb3b`	1.9
✓ passed	`nb3b/in.nb3b.screened`	9.2
○ 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`	0.6
✓ passed	`numdiff/in.numdiff`	0.6
✗ failed	`obstacle/in.obstacle`	1.0	completed, 2 abs diff and 2 rel diff checks failed differs from step 4000 on (output row 4)
◉ runtest	`peptide/in.peptide`	1.5	completed, error parsing log.peptide.4 into YAML
◉ runtest	`peri/in.peri-pmb`	1.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✗ failed	`peri/in.peri.eps`	5.8	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`peri/in.peri.lps`	5.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`peri/in.peri.pmb`	3.2
✗ failed	`peri/in.peri.ves`	6.5	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`pour/in.pour`	4.7
✓ passed	`pour/in.pour.2d`	0.9
✓ passed	`pour/in.pour.2d.molecule`	1.1
○ skipped	`prd/in.prd`	0.0	skipped, needs a multi-partition run ("prd")
⚠ error	`python/in.fix_python_invoke`	0.5	failed, ERROR: Could not process Python string:
⚠ error	`python/in.fix_python_invoke_neighlist`	0.6	failed, ERROR: Could not process Python string:
⚠ error	`python/in.fix_python_move_nve_melt`	0.6	failed, ERROR: Loading python integrator module failure (src/PYTHON/fix_python_move.cpp:64)
⚠ error	`python/in.fix_python_move_nve_melt_group`	0.5	failed, ERROR: Loading python integrator module failure (src/PYTHON/fix_python_move.cpp:64)
⚠ error	`python/in.fix_python_move_nve_melt_opt`	0.5	failed, ERROR: Loading python integrator module failure (src/PYTHON/fix_python_move.cpp:64)
✓ passed	`python/in.pair_python_coulomb`	1.3
✓ passed	`python/in.pair_python_harmonic`	8.2
✗ failed	`python/in.pair_python_hybrid`	2.9	completed, 0 abs diff and 3 rel diff checks failed differs from step 300 on (output row 7)
✓ passed	`python/in.pair_python_long`	1.8
✗ failed	`python/in.pair_python_melt`	5.6	completed, 0 abs diff and 3 rel diff checks failed differs from step 300 on (output row 7)
✓ passed	`python/in.pair_python_spce`	2.7
✓ passed	`python/in.pair_python_table`	0.7
⚠ error	`python/in.python`	0.5	failed, ERROR on proc 0: Python evaluation of function loop failed (src/PYTHON/python_impl.cpp:416)
✓ passed	`python/in.python.wrap`	0.5
✓ passed	`qeq/in.qeq.buck`	5.1
✓ passed	`qeq/in.qeq.reaxff`	0.6
✗ failed	`rdf-adf/in.spce`	21.1	completed, 6 abs diff and 6 rel diff checks failed differs in the very first thermo output
✗ failed	`rdf-adf/in.spce.hbond`	18.4	completed, 5 abs diff and 5 rel diff checks failed differs from step 200 on (output row 2)
✗ failed	`reaxff/AB/in.AB`	2.1	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/AuO/in.AuO`	2.8	completed, 1 abs diff and 2 rel diff checks failed differs from step 5 on (output row 1)
✗ failed	`reaxff/CHO/in.CHO`	2.3	completed, 2 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`	1.8	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/HNS/in.reaxff.hns`	6.6	completed, 1 abs diff and 1 rel diff checks failed differs from step 10 on (output row 1)
✓ passed	`reaxff/RDX/in.RDX`	2.9
✗ failed	`reaxff/VOH/in.VOH`	1.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/ZnOH2/in.ZnOH2`	0.8	completed, 2 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`reaxff/ci-reaxFF/in.ci-reax.CH`	5.4
✓ passed	`reaxff/in.reaxff.rdx`	0.6
✓ passed	`reaxff/in.reaxff.rdx-shielded`	0.7
✓ passed	`reaxff/in.reaxff.tatb`	1.5
✓ passed	`reaxff/in.reaxff.tatb-shielded`	1.5
✓ passed	`reaxff/water/in.water.acks2`	3.8
✓ passed	`reaxff/water/in.water.acks2.field`	4.9
✓ passed	`reaxff/water/in.water.qeq`	2.0
✓ passed	`reaxff/water/in.water.qeq.field`	2.0
⚠ error	`reaxff/water/in.water.qeqr`	0.5	failed, no such style in this LAMMPS version, ERROR: Unrecognized fix style 'qeqr/reaxff' (src/modify.cpp:916) names a style that does not exist in any package, so this is a typo or an outdated name that has to be fixed in the input
⚠ error	`reaxff/water/in.water.qeqr.field`	0.5	failed, no such style in this LAMMPS version, ERROR: Unrecognized fix style 'qeqr/reaxff' (src/modify.cpp:916) names a style that does not exist in any package, so this is a typo or an outdated name that has to be fixed in the input
✓ passed	`reaxff/water/in.water.qtpie`	2.5
✓ passed	`reaxff/water/in.water.qtpie.field`	2.4
✓ passed	`relres/in.22DMH.real`	14.2
✓ passed	`relres/in.22DMH.relres`	2.9
✓ passed	`relres/in.22DMH.respa`	2.3
✓ passed	`replicate/in.replicate.bond.x`	1.0
✓ passed	`replicate/in.replicate.bond.x.noloop`	1.0
✓ passed	`replicate/in.replicate.bond.x.y`	1.0
✓ passed	`replicate/in.replicate.bond.xy`	1.0
✓ passed	`replicate/in.replicate.cnt`	2.6
✓ passed	`rerun/in.first`	4.0
✓ passed	`rerun/in.rdf.first`	4.4
✓ passed	`rerun/in.rdf.rerun`	1.7
✓ passed	`rerun/in.read_dump`	0.7
✓ passed	`rerun/in.rerun`	0.6
◴ timeout	`rheo/balloon/in.rheo.balloon`	120.0	failed, no Total wall time in the output, timeout (120s expired) the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
✗ failed	`rheo/dam-break/in.rheo.dam.break`	97.7	completed, 0 abs diff and 1 rel diff checks failed differs in the very first thermo output the run needs 98 s: a production sized run that should be shortened in the repository (last OK: 2026-07-28T00-52-56Z_73a17bb8cd)
✗ failed	`rheo/ice-cubes/in.rheo.ice.cubes`	100.0	completed, 0 abs diff and 1 rel diff checks failed differs from step 200 on (output row 1) the run needs 100 s: a production sized run that should be shortened in the repository (last OK: 2026-07-28T00-52-56Z_73a17bb8cd)
◴ timeout	`rheo/oxidation/in.rheo.oxidation`	120.0	failed, no Total wall time in the output, timeout (120s expired) the run needs 120 s and hits the timeout of 120 s: a production sized run that should be shortened in the repository
✗ failed	`rheo/poiseuille/in.rheo.poiseuille`	11.6	completed, 0 abs diff and 1 rel diff checks failed differs from step 200 on (output row 1) (last OK: 2026-07-28T00-52-56Z_73a17bb8cd)
✗ failed	`rheo/taylor-green/in.rheo.taylor.green`	27.8	completed, 0 abs diff and 1 rel diff checks failed differs from step 200 on (output row 1) (last OK: 2026-07-28T00-52-56Z_73a17bb8cd)
✓ passed	`rigid/in.rigid`	0.6
✓ passed	`rigid/in.rigid.atomfile`	0.7
✓ passed	`rigid/in.rigid.atomvar`	0.6
✓ passed	`rigid/in.rigid.cubes`	0.7
✓ passed	`rigid/in.rigid.cubes.gravity`	0.9
✓ passed	`rigid/in.rigid.cubes.langevin`	0.8
◉ runtest	`rigid/in.rigid.cubes.multirun`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.20Mar22.rigid.rigid.molecule.g++.1, log.20Mar22.rigid.rigid.molecule.g++.4, log.rigid.cubes.gravity.1, ... in this folder match no input script at a ...
✓ passed	`rigid/in.rigid.cubes.nph`	0.8
✓ passed	`rigid/in.rigid.cubes.npt`	0.8
✓ passed	`rigid/in.rigid.cubes.nve`	0.7
✓ passed	`rigid/in.rigid.cubes.nvt`	0.8
✓ passed	`rigid/in.rigid.cubes.partial`	0.7
✓ passed	`rigid/in.rigid.cubes.tri`	0.9
✓ passed	`rigid/in.rigid.dipoles`	0.6
✓ passed	`rigid/in.rigid.early`	0.6
✓ passed	`rigid/in.rigid.ellipsoids`	0.6
✓ passed	`rigid/in.rigid.gravity`	0.8
✓ passed	`rigid/in.rigid.infile`	0.7
✓ passed	`rigid/in.rigid.molecule`	0.7
✗ failed	`rigid/in.rigid.nve`	0.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`rigid/in.rigid.nve.early`	0.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`rigid/in.rigid.property`	0.7
✓ passed	`rigid/in.rigid.small`	0.8
✓ passed	`rigid/in.rigid.small.infile`	0.6
◉ runtest	`rigid/in.rigid.small.kk`	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.20Mar22.rigid.rigid.molecule.g++.1, log.20Mar22.rigid.rigid.molecule.g++.4, log.rigid.cubes.gravity.1, ... in this folder match no input script at a ...
✓ passed	`rigid/in.rigid.spheres`	0.7
✗ failed	`rigid/in.rigid.tnr`	5.4	completed, 22 abs diff and 27 rel diff checks failed differs from step 4100 on (output row 41)
✓ passed	`shear/in.shear`	1.5
✓ passed	`shear/in.shear.void`	1.2
✓ passed	`snap/in.C_SNAP`	7.7
✓ passed	`snap/in.gaussian.grid`	0.5
✓ passed	`snap/in.snap.InP.JCPA2020`	3.4
✓ passed	`snap/in.snap.Mo_Chen`	0.8
✓ passed	`snap/in.snap.Ta06A`	0.8
✓ passed	`snap/in.snap.W.2940`	1.0
✓ passed	`snap/in.snap.WBe.PRB2019`	1.1
◉ runtest	`snap/in.snap.compute`	0.5	completed, but no Step nor Loop in the output
◉ runtest	`snap/in.snap.compute.quadratic`	0.5	completed, but no Step nor Loop in the output
◉ runtest	`snap/in.snap.grid`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
◉ runtest	`snap/in.snap.grid.triclinic`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
✓ passed	`snap/in.snap.hybrid.WSNAP.HePair`	1.0
◉ runtest	`snap/in.snap.scale.Ni_Zuo_JCPA2020`	1.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.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`	0.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 700 on (output row 9)
✓ passed	`srd/in.srd.pure`	1.4
✓ passed	`steinhardt/in.bcc`	0.5
✓ passed	`steinhardt/in.fcc`	0.5
✓ passed	`steinhardt/in.icos`	1.2
✓ passed	`streitz/in.ctip`	57.9	the run needs 58 s: a production sized run that should be shortened in the repository
◉ runtest	`streitz/in.gan`	0.9	completed, numerical checks skipped due to missing the reference log file
✗ failed	`streitz/in.streitz.ewald`	15.4	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✗ failed	`streitz/in.streitz.wolf`	20.4	failed, mismatched columns in the log files
✓ passed	`stress_vcm/in.stress_vcm`	5.1
○ skipped	`tad/in.tad`	0.0	skipped, needs a multi-partition run ("tad")
✗ failed	`template/in.hybrid`	2.3	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output
✗ failed	`template/in.mol-data-mix`	4.5	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`template/in.mol-restart-mix`	11.2
✗ failed	`template/in.molecular-mix`	6.4	completed, 4 abs diff and 3 rel diff checks failed differs from step 204 on (output row 3)
✗ failed	`template/in.template-mix`	6.4	completed, 4 abs diff and 3 rel diff checks failed differs from step 204 on (output row 3)
✗ failed	`template/in.tmpl-data-mix`	4.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`template/in.tmpl-restart-mix`	11.7
✓ passed	`tersoff/in.hBN_shift`	0.7
✓ passed	`tersoff/in.tersoff`	0.6
✓ passed	`threebody/in.mos2-bulk`	0.5
✓ passed	`threebody/in.mos2.rebomos`	4.1
✓ passed	`threebody/in.mos2.sw.mod`	1.0
✓ passed	`threebody/in.threebody`	0.7
✗ failed	`tracker/in.track`	0.6	completed, 0 abs diff and 2 rel diff checks failed differs from step 1000 on (output row 20) (last OK: 2026-07-28T00-52-56Z_73a17bb8cd)
✓ passed	`triclinic/in.bcc.orthog`	0.5
✓ passed	`triclinic/in.bcc.primitive`	0.5
✓ passed	`triclinic/in.data.general`	0.5
✓ passed	`triclinic/in.fcc.orthog`	0.5
✓ passed	`triclinic/in.fcc.primitive`	0.5
✓ passed	`triclinic/in.hex.orthog`	0.5
✓ passed	`triclinic/in.hex.primitive`	0.5
✓ passed	`triclinic/in.sq2.orthog`	0.5
✓ passed	`triclinic/in.sq2.primitive`	0.6
✓ passed	`ttm/in.ttm`	4.4
✓ passed	`ttm/in.ttm.grid`	4.4
✓ passed	`ttm/in.ttm.mod`	1.8
✓ passed	`ttm/in.ttm.thermal`	4.7
✓ passed	`vashishta/in.vashishta.inp`	0.6
✓ passed	`vashishta/in.vashishta.sio2`	0.6
✓ passed	`vashishta/in.vashishta.table.inp`	0.5
✓ passed	`vashishta/in.vashishta.table.sio2`	0.6
◉ runtest	`voronoi/in.voronoi`	2.6	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
◉ runtest	`wall/in.wall.block`	4.2	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names
✓ passed	`wall/in.wall.ccl`	0.7
✓ passed	`wall/in.wall.diffusive`	0.6
✓ passed	`wall/in.wall.flow`	1.5
◉ runtest	`wall/in.wall.harmonic.2d`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names
◉ runtest	`wall/in.wall.harmonic.outside.2d`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names
✓ passed	`wall/in.wall.lepton`	0.6
✓ passed	`wall/in.wall.maxwell`	0.7
✓ passed	`wall/in.wall.specular`	0.7
◉ runtest	`wall/in.wall.sphere`	3.1	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names
✓ passed	`wall/in.wall.table`	0.5
◉ runtest	`yaml/in.yaml`	1.2	completed, error parsing log.yaml.4 into YAML