Full Regression: parallel — 2026-09-03T04-56-39Z_d71abe6102

Configuration: 4 MPI tasks · compared with the other configurations at this commit

721
Tests
441
Passed
141
Failed
0
Errors
4
Timeouts
80
Runtest
55
Skipped

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

80 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.

titleFull Regression Test / Parallel
shad71abe6102c44577442ba7f03b7378a83166b9fd
branchdevelop
versionpatch_2Sep2026
generated2026-09-03T04:56:39Z
source_urlhttps://download.lammps.org/coverage/parallel.json
operating_systemOS: Linux "Fedora Linux 44 (Forty Four)" 7.1.8-200.fc44.x86_64 x86_64
git_infoGit info (develop / patch_2Sep2026)
compilerCompiler: 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_fileconfig.yaml
lmp_binary/home/akohlmey/compile/lammps-analyze/build-regression/lmp

Changes vs 2026-09-02T21-47-51Z_9f04213aff

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

Fixed (1)

New tests (4)

Removed tests (12)

Needs a fix in the examples tree (30)

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 (17)
  • PACKAGES/latboltz/diffusingsphere/in.trapnewsphere
    the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
  • PACKAGES/latboltz/microrheology/in.microrheology
    the run needs 175 s: a production sized run that should be shortened in the repository
  • PACKAGES/latboltz/pit_geometry/in.pits
    the run needs 52 s: a production sized run that should be shortened in the repository
  • PACKAGES/latboltz/planewall/in.planewall
    the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
  • PACKAGES/latboltz/polymer/in.polymer
    the run needs 121 s: a production sized run that should be shortened in the repository
  • PACKAGES/latboltz/translocation/in.translocation
    the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
  • PACKAGES/mbx/na+_slab/in.slab
    the run needs 97 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.21Jul26.na+_slab.g++.1 in this folder match no input script a ...
  • bpm/metamaterial/in.bpm.metamaterial
    the run needs 53 s: a production sized run that should be shortened in the repository
  • bpm/pour/in.bpm.pour
    the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
  • gransurf/in.screwfeeder.local
    the run needs 81 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 55 s: a production sized run that should be shortened in the repository
  • rheo/balloon/in.rheo.balloon
    the run needs 146 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 99 s: a production sized run that should be shortened in the repository
  • rheo/oxidation/in.rheo.oxidation
    the run needs 125 s: a production sized run that should be shortened in the repository
  • streitz/in.ctip
    the run needs 56 s: a production sized run that should be shortened in the repository
reference log file matches no input (11)
  • PACKAGES/dpd-smooth/2d-diffusion-in-shear-flow/in.lammps
    no reference log file matches this input, while log.28Mar23.2d-diffusion-in-shear-flow.g++.1, log.28Mar23.2d-diffusion-in-shear-flow.g++.4 in this folder match no input script at all: check the names
  • PACKAGES/dpd-smooth/2d-diffusion/in.lammps
    no reference log file matches this input, while log.28Mar23.2d-diffusion.g++.1, log.28Mar23.2d-diffusion.g++.4 in this folder match no input script at all: check the names
  • PACKAGES/dpd-smooth/equipartition-verification/in.lammps
    no reference log file matches this input, while log.28Mar23.equipartition.g++.1, log.28Mar23.equipartition.g++.4 in this folder match no input script at all: check the names
  • PACKAGES/mbx/256h2o/in.mbx_h2o
    no reference log file matches this input, while log.21Jul26.256h2o.g++.1 in this folder match no input script at all: check the names
  • PACKAGES/mbx/256h2o_dipole/in.mbx_h2o
    no reference log file matches this input, while log.21Jul26.256h2o_dipole.g++.1 in this folder match no input script at all: check the names
  • PACKAGES/mbx/mof_ff_lammps+1_h2o_mbx/in.mbx_mof_1h2o
    no reference log file matches this input, while log.21Jul26.mof.g++.1 in this folder match no input script at all: check the names
  • PACKAGES/mbx/na+_slab/in.slab
    the run needs 97 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.21Jul26.na+_slab.g++.1 in this folder match no input script a ...
  • rigid/in.rigid.cubes.multirun
    no reference log file matches this input, while log.rigid.cubes.gravity.1, log.rigid.cubes.gravity.4, log.rigid.cubes.langevin.1, ... in this folder match no input script at all: check the names
  • snap/in.snap.grid
    no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
  • snap/in.snap.grid.triclinic
    no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
  • snap/in.snap.scale.Ni_Zuo_JCPA2020
    no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
velocities depend on the MPI count (3)
  • 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
  • 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
  • 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 (60)

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 (5)

Differs within the first 200 steps (55)

Differs after 200 to 1000 steps (35)
  • 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/eff/Auger-Adamantane/in.adamantane_ionized.nve
    differs from step 818 on (output row 1)
  • PACKAGES/machdyn/funnel_flow/in.funnel_flow
    differs from step 800 on (output row 9)
  • PACKAGES/manybody_table/in.spce
    differs from step 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/pedone/in.pedone.melt
    differs from step 500 on (output row 5)
  • PACKAGES/qtb/alpha_quartz_qtb/in.alpha_quartz_qtb
    differs from step 500 on (output row 1)
  • 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/reaction/tiny_nylon_wildcards/in.tiny_nylon.stabilized
    differs from step 550 on (output row 11)
  • PACKAGES/shock/nemd/in.nemd
    differs from step 800 on (output row 12)
  • PACKAGES/tracker/in.track
    differs from step 1000 on (output row 20)
  • 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)
  • 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.hybrid
    differs from step 800 on (output row 8)
  • template/in.molecular-mix
    differs from step 204 on (output row 3)
  • template/in.template-mix
    differs from step 204 on (output row 3)
Differs only after 1000 steps, consistent with chaos (26)
  • 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/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 5800 on (output row 58)
  • balance/in.balance.bond.fast
    differs from step 2400 on (output row 24)
  • balance/in.balance.clock.dynamic
    differs from step 1500 on (output row 32)
  • 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 (135)

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 (80)

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

skipped – Not run at all (55)

29excluded by the test configuration
26needs a multi-partition run

All tests

StatusTestTime (s)Details
failedASPHERE/box/in.box4.1
completed, 2 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 12)
failedASPHERE/box/in.box.mp4.2
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 12)
failedASPHERE/dimer/in.dimer2.0
completed, 3 abs diff and 3 rel diff checks failed
differs from step 0 on (output row 11)
skippedASPHERE/dimer/in.dimer.mp0.0
skipped as specified in the test configuration
passedASPHERE/ellipsoid/in.ellipsoid2.5
passedASPHERE/ellipsoid/in.ellipsoid.mp3.0
failedASPHERE/flat_membrane/in.flat_membrane4.7
completed, 2 abs diff and 2 rel diff checks failed
differs from step 1400 on (output row 7)
failedASPHERE/line/in.line2.6
completed, 2 abs diff and 2 rel diff checks failed
differs from step 1000 on (output row 1)
failedASPHERE/line/in.line.srd10.2
failed, thermo checks skipped due to mismatched number of steps in the log files
passedASPHERE/poly/in.poly2.3
passedASPHERE/poly/in.poly.mp2.3
failedASPHERE/star/in.star2.9
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 12)
failedASPHERE/star/in.star.mp2.9
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 12)
passedASPHERE/superellipsoid_gran/in.bowling0.5
passedASPHERE/superellipsoid_gran/in.drop_test3.7
passedASPHERE/superellipsoid_gran/in.ellipsoid_gran0.5
runtestASPHERE/superellipsoid_gran/in.super_table0.7
completed, numerical checks skipped due to missing the reference log file
failedASPHERE/tri/in.tri.srd39.1
completed, 4 abs diff and 4 rel diff checks failed
differs from step 100 on (output row 1)
passedASPHERE/vesicle/in.vesicle2.9
passedLEPTON/in.efield-lepton2.0
failedPACKAGES/addtorque_group/in.addtorque14.1
completed, 2 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 1)
skippedPACKAGES/alchemy/in.alloy0.0
skipped, needs a multi-partition run ("fix 2 all alchemy")
skippedPACKAGES/alchemy/in.twowater0.0
skipped, needs a multi-partition run ("fix transform all alchemy")
failedPACKAGES/baoab/in.baoab_lj0.7
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)
passedPACKAGES/bocs/1_site_just_pair_LD/in.basic_ldd0.9
passedPACKAGES/bocs/4_sites_LD_SG/in.ldd_create_data2.4
passedPACKAGES/bocs/4_sites_LD_SG/in.ldd_molecule2.0
failedPACKAGES/bocs/in.methanol6.8
completed, 4 abs diff and 4 rel diff checks failed
differs from step 500 on (output row 1)
passedPACKAGES/bondval/in.hexbto4.6
passedPACKAGES/brownian/2d_velocity/in.2d.velocity0.6
passedPACKAGES/brownian/align_self/in.alignself_dipole1.3
passedPACKAGES/brownian/align_self/in.alignself_quat2.0
passedPACKAGES/brownian/asphere/in.2d.ellipsoid0.7
passedPACKAGES/brownian/asphere/in.3d.ellipsoid0.8
passedPACKAGES/brownian/point/in.2d.point0.6
passedPACKAGES/brownian/point/in.3d.point0.7
passedPACKAGES/brownian/sphere/in.2d.sphere0.6
passedPACKAGES/brownian/sphere/in.3d.sphere0.7
passedPACKAGES/brownian/spherical_ABP/in.2d.abp1.0
passedPACKAGES/brownian/spherical_ABP/in.3d.ideal_abp1.5
failedPACKAGES/cauchy/in.cauchystat0.9
completed, 2 abs diff and 2 rel diff checks failed
differs from step 100 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.2Jun2020.cauchystat.g++.1, which was written with 1 MPI processes instead of 4
passedPACKAGES/cgdna/examples/lj_units/oxDNA/duplex1/in.duplex10.6
passedPACKAGES/cgdna/examples/lj_units/oxDNA/duplex2/in.duplex20.8
passedPACKAGES/cgdna/examples/lj_units/oxDNA/potential_file/in.duplex10.6
passedPACKAGES/cgdna/examples/lj_units/oxDNA2/dsring/in.dsring1.9
passedPACKAGES/cgdna/examples/lj_units/oxDNA2/duplex1/in.duplex10.6
passedPACKAGES/cgdna/examples/lj_units/oxDNA2/duplex2/in.duplex20.7
passedPACKAGES/cgdna/examples/lj_units/oxDNA2/duplex3/in.duplex30.7
passedPACKAGES/cgdna/examples/lj_units/oxDNA2/potential_file/in.duplex10.7
passedPACKAGES/cgdna/examples/lj_units/oxDNA3/duplex2/in.duplex20.8
skippedPACKAGES/cgdna/examples/lj_units/oxDNA3/unique_bp/in.dsring20.0
skipped as specified in the test configuration
passedPACKAGES/cgdna/examples/lj_units/oxRNA2/duplex2/in.duplex20.6
passedPACKAGES/cgdna/examples/lj_units/oxRNA2/potential_file/in.duplex20.7
passedPACKAGES/cgdna/examples/real_units/oxDNA/duplex1/in.duplex10.7
passedPACKAGES/cgdna/examples/real_units/oxDNA/duplex2/in.duplex20.7
passedPACKAGES/cgdna/examples/real_units/oxDNA/potential_file/in.duplex10.7
passedPACKAGES/cgdna/examples/real_units/oxDNA2/dsring/in.dsring1.8
passedPACKAGES/cgdna/examples/real_units/oxDNA2/duplex1/in.duplex10.6
passedPACKAGES/cgdna/examples/real_units/oxDNA2/duplex2/in.duplex20.7
passedPACKAGES/cgdna/examples/real_units/oxDNA2/duplex3/in.duplex30.7
passedPACKAGES/cgdna/examples/real_units/oxDNA2/potential_file/in.duplex10.6
passedPACKAGES/cgdna/examples/real_units/oxDNA3/duplex2/in.duplex20.7
skippedPACKAGES/cgdna/examples/real_units/oxDNA3/unique_bp/in.dsring20.0
skipped as specified in the test configuration
passedPACKAGES/cgdna/examples/real_units/oxRNA2/duplex2/in.duplex20.6
passedPACKAGES/cgdna/examples/real_units/oxRNA2/potential_file/in.duplex20.7
passedPACKAGES/cgspica/sds-monolayer/in.sds-hybrid2.1
passedPACKAGES/cgspica/sds-monolayer/in.sds-regular2.2
passedPACKAGES/charge_regulation/in.chreg-acid1.3
passedPACKAGES/charge_regulation/in.chreg-acid-real0.9
passedPACKAGES/charge_regulation/in.chreg-polymer1.0
passedPACKAGES/class2xe/in.NVT_class2xe.script0.5
passedPACKAGES/cnp/in.cnp4.4
passedPACKAGES/dielectric/in.confined.dof2.5
passedPACKAGES/dielectric/in.confined.gmres0.6
passedPACKAGES/dielectric/in.confined.icc0.7
passedPACKAGES/dielectric/in.nopbc.dof0.9
passedPACKAGES/dielectric/in.nopbc.gmres0.5
passedPACKAGES/dielectric/in.nopbc.icc0.5
passedPACKAGES/diffraction/in.BulkNi39.8
passedPACKAGES/dispersion/in.d21.5
passedPACKAGES/dispersion/in.d32.2
failedPACKAGES/dpd-basic/dpd/in.dpd0.7
completed, 2 abs diff and 2 rel diff checks failed
differs from step 100 on (output row 1)
failedPACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long1.1
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)
passedPACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat2.8
failedPACKAGES/dpd-basic/dpdext/in.dpdext0.8
completed, 2 abs diff and 2 rel diff checks failed
differs from step 100 on (output row 1)
passedPACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat6.0
failedPACKAGES/dpd-meso/edpd/in.edpd17.5
completed, 6 abs diff and 6 rel diff checks failed
differs from step 100 on (output row 1)
failedPACKAGES/dpd-meso/edpd/in.edpd-region17.5
completed, 6 abs diff and 6 rel diff checks failed
differs from step 100 on (output row 1)
failedPACKAGES/dpd-meso/mdpd/in.mdpd38.1
completed, 3 abs diff and 3 rel diff checks failed
differs in the very first thermo output
failedPACKAGES/dpd-meso/tdpd/in.tdpd11.5
completed, 6 abs diff and 6 rel diff checks failed
differs from step 200 on (output row 4)
failedPACKAGES/dpd-meso/tdpd/in.tdpd-region11.9
completed, 6 abs diff and 6 rel diff checks failed
differs from step 200 on (output row 4)
runtestPACKAGES/dpd-react/dpd-shardlow/in.dpd-shardlow0.6
completed, numerical checks skipped due to missing the reference log file
runtestPACKAGES/dpd-react/dpd-vv/in.dpd-vv0.8
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/dpd-react/dpde-shardlow/in.dpde-shardlow0.6
completed, numerical checks skipped due to missing the reference log file
runtestPACKAGES/dpd-react/dpde-vv/in.dpde-vv0.8
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/dpd-react/dpdh-shardlow/in.dpdh-shardlow1.6
completed, numerical checks skipped due to missing the reference log file
runtestPACKAGES/dpd-react/dpdp-shardlow/in.dpdp-shardlow0.6
completed, numerical checks skipped due to missing the reference log file
skippedPACKAGES/dpd-react/dpdrx-shardlow/in.dpdrx-shardlow0.0
skipped as specified in the test configuration
runtestPACKAGES/dpd-react/multi-lucy/in.multi-lucy0.8
completed, numerical checks skipped due to missing the reference log file
runtestPACKAGES/dpd-smooth/2d-diffusion-in-shear-flow/in.lammps0.7
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
no reference log file matches this input, while log.28Mar23.2d-diffusion-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
runtestPACKAGES/dpd-smooth/2d-diffusion/in.lammps0.6
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
runtestPACKAGES/dpd-smooth/equipartition-verification/in.lammps3.3
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
no reference log file matches this input, while log.28Mar23.equipartition.g++.1, log.28Mar23.equipartition.g++.4 in this folder match no input script at all: check the names
failedPACKAGES/drude/butane/in.butane.lang13.8
completed, 3 abs diff and 4 rel diff checks failed
differs from step 100 on (output row 2)
failedPACKAGES/drude/butane/in.butane.nh13.4
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 2)
failedPACKAGES/drude/butane/in.butane.tgnh12.7
completed, 3 abs diff and 5 rel diff checks failed
differs from step 100 on (output row 2)
failedPACKAGES/drude/ethanol/in.ethanol.lang11.2
completed, 5 abs diff and 5 rel diff checks failed
differs from step 40 on (output row 2)
failedPACKAGES/drude/ethanol/in.ethanol.nh13.1
completed, 5 abs diff and 5 rel diff checks failed
differs from step 80 on (output row 4)
failedPACKAGES/drude/ethanol/in.ethanol.tgnh11.7
completed, 5 abs diff and 5 rel diff checks failed
differs from step 80 on (output row 4)
failedPACKAGES/drude/ethylene_glycol/in.ethylene_glycol7.5
completed, 3 abs diff and 4 rel diff checks failed
differs from step 50 on (output row 1)
failedPACKAGES/drude/swm4-ndp/in.swm4-ndp.lang17.9
completed, 5 abs diff and 5 rel diff checks failed
differs from step 20 on (output row 1)
failedPACKAGES/drude/swm4-ndp/in.swm4-ndp.nh18.8
completed, 5 abs diff and 5 rel diff checks failed
differs from step 40 on (output row 2)
failedPACKAGES/drude/toluene/in.toluene.lang18.4
completed, 3 abs diff and 4 rel diff checks failed
differs from step 50 on (output row 1)
failedPACKAGES/drude/toluene/in.toluene.nh20.2
completed, 5 abs diff and 5 rel diff checks failed
differs from step 50 on (output row 1)
passedPACKAGES/e3b/in.e3b-tip4p20051.2
passedPACKAGES/edip/in.edip-Si0.6
passedPACKAGES/edip/in.edip-Si-multi0.6
passedPACKAGES/edip/in.edip-SiC0.5
passedPACKAGES/ees/in.fix_wall0.6
passedPACKAGES/ees/in.fix_wall_region0.9
failedPACKAGES/eff/Auger-Adamantane/in.adamantane_ionized.nve35.3
completed, 7 abs diff and 7 rel diff checks failed
differs from step 818 on (output row 1)
passedPACKAGES/eff/Be-solid/in.Be-solid.spe3.5
passedPACKAGES/eff/CH4/in.ch4.dynamics1.5
passedPACKAGES/eff/CH4/in.ch4.min0.6
passedPACKAGES/eff/CH4/in.ch4_ionized.dynamics23.6
passedPACKAGES/eff/ECP/Si2H6/in.Si2H60.5
passedPACKAGES/eff/ECP/Si2H6/in.Si2H6.ang4.1
passedPACKAGES/eff/ECP/SiC/bulk/in.SiC6.9
runtestPACKAGES/eff/ECP/SiH4/in.SiH40.5
completed, error parsing log.SiH4.4 into YAML
runtestPACKAGES/eff/ECP/SiH4/in.SiH4.ang0.6
completed, error parsing log.SiH4.ang.4 into YAML
passedPACKAGES/eff/H/in.h_atom.spe.ang0.5
passedPACKAGES/eff/H/in.h_atom.spe.bohr0.5
passedPACKAGES/eff/H2/in.h22.6
passedPACKAGES/eff/H_plasma/in.h2bulk.npt10.6
passedPACKAGES/eff/H_plasma/in.h2bulk.nve17.5
passedPACKAGES/eff/H_plasma/in.h2bulk.nve.ang18.6
passedPACKAGES/eff/Li-dendritic/in.Li-dendritic.min8.6
passedPACKAGES/eff/Li-dendritic/in.Li-dendritic.nvt15.7
passedPACKAGES/eff/Li-solid/in.Li.ang18.7
passedPACKAGES/eff/Li-solid/in.Li.bohr12.9
failedPACKAGES/eff/fixed-core/C2H6/in.C2H6fc.ang2.2
completed, 3 abs diff and 5 rel diff checks failed
differs from step 63 on (output row 1)
passedPACKAGES/eff/fixed-core/C2H6/in.C2H6fc.bohr0.7
failedPACKAGES/eff/fixed-core/CH4/in.CH4fc.ang6.0
completed, 4 abs diff and 5 rel diff checks failed
differs from step 30 on (output row 3)
failedPACKAGES/eff/fixed-core/CH4/in.CH4fc.bohr1.1
completed, 4 abs diff and 4 rel diff checks failed
differs from step 6390 on (output row 641)
passedPACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.ang0.5
passedPACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.bohr0.5
passedPACKAGES/electrode/graph-il/in.graph-il-conp15.9
passedPACKAGES/electrode/graph-il/in.graph-il-conq15.0
passedPACKAGES/electrode/graph-il/in.graph-il-conq214.8
passedPACKAGES/electrode/graph-il/in.graph-il-etypes14.5
passedPACKAGES/electrode/graph-il/in.graph-il-ffield12.4
passedPACKAGES/electrode/graph-il/in.graph-il-ramp14.7
passedPACKAGES/electrode/graph-il/in.graph-il-thermo14.9
passedPACKAGES/electrode/madelung/in.madelung-cg0.5
passedPACKAGES/electrode/madelung/in.madelung-eta0.5
passedPACKAGES/electrode/madelung/in.madelung-eta_cg0.5
passedPACKAGES/electrode/madelung/in.madelung-eta_mix0.5
passedPACKAGES/electrode/madelung/in.madelung-ewald-ew2d0.5
passedPACKAGES/electrode/madelung/in.madelung-ewald-ew3dc0.5
passedPACKAGES/electrode/madelung/in.madelung-ewald-ffield0.5
passedPACKAGES/electrode/madelung/in.madelung-pppm-ew3dc0.6
passedPACKAGES/electrode/madelung/in.madelung-pppm-ffield0.5
passedPACKAGES/electrode/planar/in.planar-ewald-ew2d0.6
passedPACKAGES/electrode/planar/in.planar-ewald-ew3dc0.6
passedPACKAGES/electrode/planar/in.planar-ewald-ffield0.5
passedPACKAGES/electrode/planar/in.planar-pppm-ew3dc0.7
passedPACKAGES/electrode/planar/in.planar-pppm-ffield0.8
passedPACKAGES/electron_stopping/in.cascade_AlCu1.9
passedPACKAGES/electron_stopping/in.cascade_SiSi2.9
passedPACKAGES/electron_stopping/in.elstop5.9
passedPACKAGES/electron_stopping/in.elstop.only0.8
runtestPACKAGES/entropy/in.entropy0.9
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
failedPACKAGES/extep/in.extep-bn0.6
completed, 3 abs diff and 3 rel diff checks failed
differs from step 20 on (output row 2)
runtestPACKAGES/fep/C7inEthanol/fep01/in.insertion0.6
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/fep/C7inEthanol/fep10/in.deletion0.6
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/fep/CC-CO/fep01/in.fep01.lmp0.9
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/fep/CC-CO/fep10/in.fep10.lmp0.9
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/fep/CH4-CF4/bar01/in.bar01.lmp0.7
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/fep/CH4-CF4/bar10/in.bar10.lmp0.8
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/fep/CH4-CF4/fep01/in.fep01.lmp0.9
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/fep/CH4-CF4/fep10/in.fep10.lmp0.8
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/fep/CH4hyd/fdti01/in.fdti01.lmp1.2
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/fep/CH4hyd/fdti10/in.fdti10.lmp1.2
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/fep/CH4hyd/fep01/in.fep01.lmp1.0
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/fep/CH4hyd/fep10/in.fep10.lmp1.0
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/fep/ta/in.spce.lmp2.6
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/filter_corotate/in.bpti7.6
completed, error parsing log.bpti.4 into YAML
failedPACKAGES/filter_corotate/in.peptide27.9
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 2)
passedPACKAGES/flow_gauss/in.GD1.0
passedPACKAGES/frenkel/in.frenkel1.3
runtestPACKAGES/gauss_diel/in.gauss-diel0.7
completed, error parsing log.gauss-diel.smoke.4 into YAML
runtestPACKAGES/gauss_diel/in.gauss-diel-cg0.6
completed, error parsing log.gauss-diel-cg.smoke.4 into YAML
runtestPACKAGES/gauss_diel/in.gauss-diel-split0.6
completed, error parsing log.gauss-diel-split.smoke.4 into YAML
passedPACKAGES/gjf/in.gjf.vfull3.8
passedPACKAGES/gjf/in.gjf.vhalf3.9
failedPACKAGES/gle/in.h2o-quantum4.1
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1400 on (output row 14)
failedPACKAGES/gle/in.h2o-smart4.2
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1200 on (output row 12)
skippedPACKAGES/grem/lj-6rep/in.gREM0.0
skipped as specified in the test configuration
failedPACKAGES/grem/lj-single/in.gREM-npt0.6
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)
passedPACKAGES/grem/lj-single/in.gREM-nvt0.6
skippedPACKAGES/grem/lj-temper/in.gREM-temper0.0
skipped, needs a multi-partition run ("temper/grem")
runtestPACKAGES/hma/in.hma27.0
completed, but no Step nor Loop in the output
passedPACKAGES/ilves/in.cg-polymers1.5
passedPACKAGES/ilves/in.covid28.1
runtestPACKAGES/ilves/in.dimer0.8
completed, error parsing log.dimer.4 into YAML
runtestPACKAGES/ilves/in.peptide-allbonds2.0
completed, error parsing log.peptide-allbonds.4 into YAML
runtestPACKAGES/ilves/in.peptide-fixed1.7
completed, error parsing log.peptide-fixed.4 into YAML
runtestPACKAGES/ilves/in.peptide-ilves1.8
completed, error parsing log.peptide-ilves.4 into YAML
runtestPACKAGES/ilves/in.peptide-mix1.7
completed, error parsing log.peptide-mix.4 into YAML
runtestPACKAGES/ilves/in.peptide-rattle1.6
completed, error parsing log.peptide-rattle.4 into YAML
runtestPACKAGES/ilves/in.peptide-shake1.6
completed, error parsing log.peptide-shake.4 into YAML
passedPACKAGES/ilves/in.polymelt7.9
runtestPACKAGES/ilves/in.rhodo-allbonds14.2
completed, error parsing log.rhodo-allbonds.4 into YAML
runtestPACKAGES/ilves/in.rhodo-ilves12.4
completed, error parsing log.rhodo-ilves.4 into YAML
runtestPACKAGES/ilves/in.rhodo-shake12.2
completed, error parsing log.rhodo-shake.4 into YAML
skippedPACKAGES/imd/in.bucky-plus-cnt0.0
skipped as specified in the test configuration
skippedPACKAGES/imd/in.deca-ala-solv-filter_imd0.0
skipped as specified in the test configuration
skippedPACKAGES/imd/in.deca-ala-solv_imd0.0
skipped as specified in the test configuration
skippedPACKAGES/imd/in.deca-ala-solv_imd_v30.0
skipped as specified in the test configuration
skippedPACKAGES/imd/in.deca-ala_imd0.0
skipped as specified in the test configuration
skippedPACKAGES/imd/in.melt_imd0.0
skipped as specified in the test configuration
passedPACKAGES/interlayer/aip_water_2dm/in.gr_water7.4
passedPACKAGES/interlayer/aip_water_2dm/in.gr_water.opt4.7
failedPACKAGES/interlayer/drip/in.CH_drip1.1
completed, 2 abs diff and 2 rel diff checks failed
differs from step 30 on (output row 3)
passedPACKAGES/interlayer/drip/in.C_drip0.9
passedPACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene16.2
passedPACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBN17.0
passedPACKAGES/interlayer/ilp_graphene_hbn/in.grhBN17.5
passedPACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn17.5
failedPACKAGES/interlayer/ilp_tmds/in.mos212.6
completed, 1 abs diff and 1 rel diff checks failed
differs from step 100 on (output row 1)
passedPACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphene16.2
passedPACKAGES/interlayer/kolmogorov_crespi_z/in.atom-diffusion0.9
passedPACKAGES/interlayer/kolmogorov_crespi_z/in.bilayer-graphene0.9
passedPACKAGES/interlayer/saip_metal/in.gold_gr2.5
failedPACKAGES/interlayer/saip_metal_tmd/in.au_mos214.6
completed, 3 abs diff and 2 rel diff checks failed
differs from step 100 on (output row 1)
timeoutPACKAGES/latboltz/diffusingsphere/in.trapnewsphere180.1
failed, no Total wall time in the output, timeout (180s expired)
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
passedPACKAGES/latboltz/microrheology/in.microrheology174.6
the run needs 175 s: a production sized run that should be shortened in the repository
passedPACKAGES/latboltz/pit_geometry/in.pits51.6
the run needs 52 s: a production sized run that should be shortened in the repository
timeoutPACKAGES/latboltz/planewall/in.planewall180.0
failed, no Total wall time in the output, timeout (180s expired)
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
passedPACKAGES/latboltz/polymer/in.polymer120.7
the run needs 121 s: a production sized run that should be shortened in the repository
timeoutPACKAGES/latboltz/translocation/in.translocation180.0
failed, no Total wall time in the output, timeout (180s expired)
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
runtestPACKAGES/local_density/benzene_water/in.benzene_water14.5
completed, but no Step nor Loop in the output
runtestPACKAGES/local_density/methanol_implicit_water/in.methanol_implicit_water14.4
completed, but no Step nor Loop in the output
passedPACKAGES/machdyn/aluminum_strip_pull/in.aluminum_strip_pull0.9
passedPACKAGES/machdyn/fluid_structure_interaction/in.fluid_structure_interaction10.9
failedPACKAGES/machdyn/funnel_flow/in.funnel_flow10.8
completed, 0 abs diff and 1 rel diff checks failed
differs from step 800 on (output row 9)
failedPACKAGES/machdyn/rubber_rings_3d/in.rubber_rings_3d7.4
completed, 1 abs diff and 1 rel diff checks failed
differs from step 100 on (output row 1)
passedPACKAGES/machdyn/rubber_strip_pull/in.rubber_strip_pull1.1
failedPACKAGES/manybody_table/in.spce1.5
completed, 3 abs diff and 3 rel diff checks failed
differs from step 600 on (output row 6)
failedPACKAGES/manybody_table/in.spce21.5
completed, 3 abs diff and 3 rel diff checks failed
differs from step 600 on (output row 6)
passedPACKAGES/manybody_table/in.spce_sw1.5
runtestPACKAGES/mbx/256h2o/in.mbx_h2o16.7
completed, numerical checks skipped due to missing the reference log file
no reference log file matches this input, while log.21Jul26.256h2o.g++.1 in this folder match no input script at all: check the names
runtestPACKAGES/mbx/256h2o_dipole/in.mbx_h2o16.5
completed, numerical checks skipped due to missing the reference log file
no reference log file matches this input, while log.21Jul26.256h2o_dipole.g++.1 in this folder match no input script at all: check the names
runtestPACKAGES/mbx/mof_ff_lammps+1_h2o_mbx/in.mbx_mof_1h2o8.1
completed, numerical checks skipped due to missing the reference log file
no reference log file matches this input, while log.21Jul26.mof.g++.1 in this folder match no input script at all: check the names
runtestPACKAGES/mbx/na+_slab/in.slab96.6
completed, numerical checks skipped due to missing the reference log file
the run needs 97 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.21Jul26.na+_slab.g++.1 in this folder match no input script a ...
passedPACKAGES/meam_spline/in.meam-spline.Si0.9
passedPACKAGES/meam_spline/in.meam-spline.TiO218.2
passedPACKAGES/meam_sw_spline/Si/in.bcc0.5
passedPACKAGES/meam_sw_spline/Si/in.bcc_relax1.5
passedPACKAGES/meam_sw_spline/Si/in.dc0.5
failedPACKAGES/meam_sw_spline/Si/in.dc_relax1.7
completed, 0 abs diff and 2 rel diff checks failed
differs from step 136 on (output row 136)
passedPACKAGES/meam_sw_spline/Si/in.energy_conservation.meam.sw2.7
passedPACKAGES/meam_sw_spline/Si/in.fcc0.6
passedPACKAGES/meam_sw_spline/Si/in.fcc_relax1.6
failedPACKAGES/meam_sw_spline/Si/in.hcp_relax1.6
failed, thermo checks skipped due to mismatched number of steps in the log files
passedPACKAGES/meam_sw_spline/Si/in.sc0.5
passedPACKAGES/meam_sw_spline/Si/in.sc_relax1.0
passedPACKAGES/meam_sw_spline/Si/in.single_atom0.5
passedPACKAGES/meam_sw_spline/Ti/in.alpha0.6
failedPACKAGES/meam_sw_spline/Ti/in.alpha_relaxation1.1
failed, thermo checks skipped due to mismatched number of steps in the log files
passedPACKAGES/meam_sw_spline/Ti/in.beta0.5
failedPACKAGES/meam_sw_spline/Ti/in.energy_conservation.meam.sw15.6
completed, 2 abs diff and 2 rel diff checks failed
differs from step 140 on (output row 14)
passedPACKAGES/meam_sw_spline/Ti/in.fcc0.5
passedPACKAGES/meam_sw_spline/Ti/in.hexagonal0.6
passedPACKAGES/meam_sw_spline/Ti/in.omega0.5
passedPACKAGES/meam_sw_spline/Ti/in.single_atom0.5
passedPACKAGES/mesont/in.film_mesocnt3.9
passedPACKAGES/mgpt/in.bcc00.5
passedPACKAGES/mgpt/in.vac0-bcc0.6
passedPACKAGES/mgpt/in.vacmin-bcc2.1
passedPACKAGES/ml-runner/in.ml-runner.H2O1.2
passedPACKAGES/mofff/in.hkust10.5
passedPACKAGES/mofff/in.hkust1_long0.6
passedPACKAGES/momb/in.system7.3
failedPACKAGES/moments/in.converge4.9
failed, thermo checks skipped due to mismatched number of steps in the log files
passedPACKAGES/moments/in.simple5.7
passedPACKAGES/moments/in.valtest0.6
runtestPACKAGES/momentum/in.momentum0.5
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
passedPACKAGES/mop/in.compute_stress_mop0.5
failedPACKAGES/neighbor-swap/in.KMC_pulse_center14.3
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 2)
failedPACKAGES/neighbor-swap/in.KMC_pulse_edge14.6
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 2)
passedPACKAGES/orient_eco/in.orient_eco30.0
passedPACKAGES/pace/compute/in.compute0.6
passedPACKAGES/pace/in.pace.product2.4
passedPACKAGES/pace/in.pace.recursive2.0
failedPACKAGES/pafi/in.pafi1.7
completed, 0 abs diff and 2 rel diff checks failed
differs from step 500 on (output row 8)
failedPACKAGES/pedone/in.pedone.melt3.8
completed, 3 abs diff and 2 rel diff checks failed
differs from step 500 on (output row 5)
failedPACKAGES/pedone/in.pedone.relax5.0
completed, 2 abs diff and 2 rel diff checks failed
differs from step 200 on (output row 2)
runtestPACKAGES/phonon/1-1D-mono/in.Ana0.5
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
skippedPACKAGES/phonon/1-1D-mono/in.disp0.0
skipped as specified in the test configuration
passedPACKAGES/phonon/2-1D-diatomic/in.Ana36.7
skippedPACKAGES/phonon/2-1D-diatomic/in.disp0.0
skipped as specified in the test configuration
runtestPACKAGES/phonon/3-3D-FCC-Cu-EAM/in.EAM3D0.5
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
skippedPACKAGES/phonon/3-3D-FCC-Cu-EAM/in.disp0.0
skipped as specified in the test configuration
skippedPACKAGES/phonon/3-3D-FCC-Cu-EAM/in.disp20.0
skipped as specified in the test configuration
skippedPACKAGES/phonon/3-3D-FCC-Cu-EAM/in.dos0.0
skipped as specified in the test configuration
skippedPACKAGES/phonon/4-Graphene/in.disp0.0
skipped as specified in the test configuration
runtestPACKAGES/phonon/4-Graphene/in.graphene0.6
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/phonon/dynamical_matrix_command/Silicon/in.silicon0.5
completed, but no Step nor Loop in the output
skippedPACKAGES/pimd/langevin_metal_units/in.langevin.metal0.0
skipped, needs a multi-partition run ("variable ibead uloop")
skippedPACKAGES/pimd/langevin_metal_units/in.pimd-langevin.metal0.0
skipped, needs a multi-partition run ("variable ibead uloop")
skippedPACKAGES/pimd/langevin_reduced_units/in.lmp0.0
skipped, needs a multi-partition run ("variable ibead uloop")
skippedPACKAGES/pimd/langevin_reduced_units_group/in.lmp0.0
skipped, needs a multi-partition run ("variable ibead uloop")
skippedPACKAGES/pimd/para-h2/in.scp0.0
skipped, needs a multi-partition run ("variable ibead uloop")
skippedPACKAGES/pimd/prot-hairpin/in.scp0.0
skipped, needs a multi-partition run ("variable ibead uloop")
skippedPACKAGES/pimd_bosonic/harmonic_trap_langevin/in.lmp0.0
skipped, needs a multi-partition run ("variable ibead uloop")
skippedPACKAGES/pimd_bosonic/harmonic_trap_nvt/in.lmp0.0
skipped, needs a multi-partition run ("variable ibead uloop")
skippedPACKAGES/pod/InP/in.fitpod.InP0.0
skipped as specified in the test configuration
skippedPACKAGES/pod/InP/in.pod.InP0.0
skipped as specified in the test configuration
runtestPACKAGES/pod/Ta/in.fitpod0.6
completed, but no Step nor Loop in the output
passedPACKAGES/pod/Ta/in.pod0.6
skippedPACKAGES/pod/Ta/in.pod.compute0.0
skipped as specified in the test configuration
passedPACKAGES/ptm/in.ptm0.6
failedPACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst12.1
completed, 3 abs diff and 4 rel diff checks failed
differs in the very first thermo output
failedPACKAGES/qtb/alpha_quartz_qtb/in.alpha_quartz_qtb4.0
completed, 2 abs diff and 2 rel diff checks failed
differs from step 500 on (output row 1)
failedPACKAGES/qtb/methane_qbmsst/in.methane_qbmsst36.2
completed, 2 abs diff and 3 rel diff checks failed
differs from step 40 on (output row 2)
failedPACKAGES/qtb/methane_qtb/in.methane_qtb5.6
completed, 1 abs diff and 2 rel diff checks failed
differs from step 50 on (output row 1)
passedPACKAGES/quip/in.gap1.4
passedPACKAGES/quip/in.molecular0.6
passedPACKAGES/quip/in.sw1.1
failedPACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene6.0
completed, 2 abs diff and 2 rel diff checks failed
differs from step 300 on (output row 3)
passedPACKAGES/reaction/nylon,6-6_melt/in.large_nylon_melt15.5
passedPACKAGES/reaction/tiny_epoxy/in.tiny_epoxy.stabilized0.9
failedPACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized1.8
completed, 2 abs diff and 2 rel diff checks failed
differs from step 700 on (output row 14)
failedPACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized_variable_probability0.8
completed, 0 abs diff and 1 rel diff checks failed
differs from step 400 on (output row 8)
passedPACKAGES/reaction/tiny_nylon/in.tiny_nylon.unstabilized0.7
failedPACKAGES/reaction/tiny_nylon_json/in.tiny_nylon.stabilized2.9
completed, 2 abs diff and 2 rel diff checks failed
differs from step 700 on (output row 14)
failedPACKAGES/reaction/tiny_nylon_wildcards/in.tiny_nylon.stabilized2.9
completed, 2 abs diff and 2 rel diff checks failed
differs from step 550 on (output row 11)
(last OK: 2026-08-22T09-32-25Z_320a38e835)
failedPACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized9.0
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
passedPACKAGES/relres/in.22DMH.real14.9
passedPACKAGES/relres/in.22DMH.relres2.9
passedPACKAGES/relres/in.22DMH.respa2.2
passedPACKAGES/rhok/in.crystal6.3
passedPACKAGES/rhok/in.pinning6.6
passedPACKAGES/rhok/in.setup5.7
passedPACKAGES/shock/hugoniostat/in.hugoniostat3.3
passedPACKAGES/shock/msst/in.msst2.1
failedPACKAGES/shock/nemd/in.nemd7.1
completed, 8 abs diff and 8 rel diff checks failed
differs from step 800 on (output row 12)
runtestPACKAGES/slater/in.slater6.4
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/sna_nnn_slcsa/in.slcsa9.0
completed, error parsing log.slcsa.4 into YAML
passedPACKAGES/srp/in.srp2.4
passedPACKAGES/srp_react/in.srp_react22.6
passedPACKAGES/stressprofile/in.cylinder1.5
passedPACKAGES/stressprofile/in.flat1.1
passedPACKAGES/stressprofile/in.sphere0.9
passedPACKAGES/tally/in.force1.1
passedPACKAGES/tally/in.pe1.1
passedPACKAGES/tally/in.stress1.1
skippedPACKAGES/temper_npt/in.temper_npt0.0
skipped, needs a multi-partition run ("temper/npt")
runtestPACKAGES/ti/in.ti_spring0.6
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/tmd/in.tmd1.6
completed, error parsing log.tmd.4 into YAML
failedPACKAGES/tracker/in.track0.7
completed, 0 abs diff and 2 rel diff checks failed
differs from step 1000 on (output row 20)
passedPACKAGES/uef/npt_biaxial/in.npt_biaxial1.6
passedPACKAGES/uef/nvt_uniaxial/in.nvt_uniaxial1.5
passedPACKAGES/uf3/in.uf3.Nb0.6
runtestPACKAGES/vtk/in.vtk0.6
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/vtk/in.vtp0.7
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
runtestPACKAGES/yaff/mil53al/in.mil53a3.6
completed, error parsing log.mil53a.4 into YAML
runtestPACKAGES/yaff/mof5/in.mof51.2
completed, error parsing log.mof5.4 into YAML
passedSPIN/bfo/in.spin.bfo2.2
passedSPIN/cobalt_fcc/in.spin.cobalt_fcc2.2
passedSPIN/cobalt_hcp/in.spin.cobalt_hcp2.7
passedSPIN/dipole_spin/in.spin.iron_dipole_cut1.8
passedSPIN/dipole_spin/in.spin.iron_dipole_ewald3.1
passedSPIN/dipole_spin/in.spin.iron_dipole_pppm2.8
skippedSPIN/gneb/iron/in.gneb.iron0.0
skipped, needs a multi-partition run ("fix 3 all neb/spin")
skippedSPIN/gneb/skyrmion/in.gneb.skyrmion0.0
skipped, needs a multi-partition run ("fix 3 all neb/spin")
passedSPIN/iron/in.spin.iron2.0
passedSPIN/iron/in.spin.iron_cubic2.0
passedSPIN/nickel/in.spin.nickel2.4
passedSPIN/nickel/in.spin.nickel_cubic2.2
passedSPIN/read_restart/in.spin.read_data1.7
passedSPIN/read_restart/in.spin.restart0.9
passedSPIN/read_restart/in.spin.write_restart1.5
passedSPIN/setforce_spin/in.spin.setforce0.7
passedSPIN/spinmin/in.spin.bfo_min1.9
passedSPIN/spinmin/in.spin.bfo_min_cg1.8
passedSPIN/spinmin/in.spin.bfo_min_lbfgs0.6
passedSPIN/spinmin/in.spin.iron_min0.6
skippedSPIN/test_problems/validation_nve/in.spin.iron-nve0.0
skipped as specified in the test configuration
skippedSPIN/test_problems/validation_nvt/in.spin.nvt_lattice0.0
skipped as specified in the test configuration
skippedSPIN/test_problems/validation_nvt/in.spin.nvt_spin0.0
skipped as specified in the test configuration
passedUNITS/in.ar.lj0.5
passedUNITS/in.ar.metal0.5
passedUNITS/in.ar.real0.5
passedairebo/in.airebo14.9
passedairebo/in.airebo-0-01.7
passedairebo/in.airebo-bc14.1
passedairebo/in.airebo-m15.0
passedairebo/in.rebo21.7
passedamoeba/in.ubiquitin3.6
passedamoeba/in.water_box.amoeba3.7
passedamoeba/in.water_box.hippo2.5
passedamoeba/in.water_dimer.amoeba0.5
passedamoeba/in.water_dimer.hippo0.5
passedamoeba/in.water_hexamer.amoeba0.5
passedamoeba/in.water_hexamer.hippo0.6
passedatm/in.atm3.5
failedbalance/in.balance0.8
completed, 2 abs diff and 2 rel diff checks failed
differs from step 5800 on (output row 58)
failedbalance/in.balance.bond.fast0.9
completed, 2 abs diff and 2 rel diff checks failed
differs from step 2400 on (output row 24)
passedbalance/in.balance.bond.slow1.2
failedbalance/in.balance.clock.dynamic5.3
completed, 1 abs diff and 4 rel diff checks failed
differs from step 1500 on (output row 32)
passedbalance/in.balance.clock.static2.6
passedbalance/in.balance.group.dynamic1.2
passedbalance/in.balance.group.static1.2
failedbalance/in.balance.kspace2.6
completed, 3 abs diff and 3 rel diff checks failed
differs from step 300 on (output row 6)
passedbalance/in.balance.neigh.dynamic4.9
passedbalance/in.balance.neigh.rcb1.5
passedbalance/in.balance.neigh.static3.6
failedbalance/in.balance.var.dynamic6.2
completed, 0 abs diff and 3 rel diff checks failed
differs from step 1700 on (output row 37)
passedbody/in.body0.9
failedbody/in.cubes10.1
completed, 2 abs diff and 2 rel diff checks failed
differs from step 1000 on (output row 1)
passedbody/in.pour3d0.8
failedbody/in.squares3.3
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 1)
failedbody/in.wall2d2.7
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 1)
passedbpm/impact/in.bpm.impact.rotational14.4
passedbpm/impact/in.bpm.impact.spring3.7
passedbpm/metamaterial/in.bpm.metamaterial52.7
the run needs 53 s: a production sized run that should be shortened in the repository
passedbpm/peri/benchmark/in.bench.bpm.pmb1.1
passedbpm/peri/benchmark/in.bench.legacy.pmb1.6
passedbpm/peri/in.bpm.peri.eps7.5
passedbpm/peri/in.bpm.peri.lps5.9
passedbpm/peri/in.bpm.peri.pmb5.0
passedbpm/peri/in.bpm.peri.ves7.4
failedbpm/plasticity/in.bpm.plasticity33.8
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
failedbpm/poissons_ratio/in.bpm.poissons_ratio13.6
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
timeoutbpm/pour/in.bpm.pour180.0
failed, no Total wall time in the output, timeout (180s expired)
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
passedbpm/wires/in.bpm.wires6.3
failedcharmmfsw/in.charmmfsw4.7
completed, 2 abs diff and 1 rel diff checks failed
differs from step 20 on (output row 2)
failedcmap/in.cmap1.8
completed, 1 abs diff and 1 rel diff checks failed
differs from step 12000 on (output row 12)
failedcolloid/in.colloid2.5
completed, 3 abs diff and 3 rel diff checks failed
differs from step 6000 on (output row 6)
passedcomb/in.comb.Cu0.6
passedcomb/in.comb.Cu2O.elastic4.6
passedcomb/in.comb.HfO21.4
passedcomb/in.comb.Si0.5
passedcomb/in.comb.Si.elastic0.7
passedcomb/in.comb33.8
passedcontroller/in.controller.temp2.6
failedcontroller/in.controller.wall5.9
completed, 2 abs diff and 2 rel diff checks failed
differs from step 500 on (output row 1)
failedcoreshell/in.coreshell3.0
completed, 7 abs diff and 9 rel diff checks failed
differs from step 50 on (output row 1)
passedcoreshell/in.coreshell.dsf5.5
failedcoreshell/in.coreshell.thermostats4.0
completed, 12 abs diff and 14 rel diff checks failed
differs from step 50 on (output row 1)
failedcoreshell/in.coreshell.wolf6.5
completed, 10 abs diff and 10 rel diff checks failed
differs from step 50 on (output row 1)
passedcrack/in.crack1.2
passeddeposit/in.deposit.atom2.5
passeddeposit/in.deposit.molecule3.2
passeddeposit/in.deposit.molecule.rigid-nve-small4.3
passeddeposit/in.deposit.molecule.rigid-nvt-small4.6
passeddeposit/in.deposit.molecule.rigid-small4.4
passeddeposit/in.deposit.molecule.shake3.4
passeddipole/in.charge_dipole7.6
passeddipole/in.dipole0.9
runtestdreiding/in.dreiding0.6
completed, error parsing log.dreiding.4 into YAML
failedeim/in.eim1.6
completed, 2 abs diff and 2 rel diff checks failed
differs from step 50 on (output row 1)
failedellipse/in.ellipse.gayberne0.9
completed, 2 abs diff and 2 rel diff checks failed
differs from step 2300 on (output row 24)
failedellipse/in.ellipse.resquared1.4
completed, 0 abs diff and 2 rel diff checks failed
differs from step 2900 on (output row 30)
passedfire/in.abcfire0.6
failedfire/in.abcfire_mod1.0
failed, thermo checks skipped due to mismatched number of steps in the log files
passedfire/in.cg0.6
failedfire/in.fire0.6
completed, 0 abs diff and 1 rel diff checks failed
differs from step 1900 on (output row 29)
failedfire/in.fire_mod0.6
completed, 0 abs diff and 1 rel diff checks failed
differs from step 1950 on (output row 30)
passedfire/in.meam.abcfire11.2
passedfire/in.meam.fire16.8
skippedfire/in.neb.sivac.abcfire0.0
skipped, needs a multi-partition run ("variable u uloop")
skippedfire/in.neb.sivac.abcfire_mod0.0
skipped, needs a multi-partition run ("variable u uloop")
skippedfire/in.neb.sivac.fire0.0
skipped, needs a multi-partition run ("variable u uloop")
skippedfire/in.neb.sivac.fire_mod0.0
skipped, needs a multi-partition run ("variable u uloop")
skippedfire/in.neb.sivac.qm0.0
skipped, needs a multi-partition run ("variable u uloop")
failedflow/in.flow.couette0.7
completed, 2 abs diff and 2 rel diff checks failed
differs from step 2500 on (output row 5)
failedflow/in.flow.pois0.7
completed, 2 abs diff and 2 rel diff checks failed
differs from step 3000 on (output row 6)
failedfriction/in.friction1.2
completed, 3 abs diff and 3 rel diff checks failed
differs from step 10000 on (output row 10)
failedgranregion/in.granregion.box0.9
completed, 7 abs diff and 10 rel diff checks failed
differs from step 400 on (output row 4)
passedgranregion/in.granregion.funnel42.3
passedgranregion/in.granregion.mixer16.1
passedgransurf/in.line.gran.data0.8
passedgransurf/in.line.gran.global0.7
passedgransurf/in.line.gran.surf0.8
passedgransurf/in.screwfeeder.local81.2
the run needs 81 s: a production sized run that should be shortened in the repository
passedgransurf/in.tri.gran.data0.8
passedgransurf/in.tri.gran.global0.8
passedgransurf/in.tri.gran.global.stl0.8
passedgransurf/in.tri.gran.surf0.9
passedgransurf/in.tri.gran.surf.stl0.9
passedgransurf/in.tribox.gran.data1.7
passedgransurf/in.tribox.gran.global1.3
passedgransurf/in.tribox.gran.global.stl0.8
passedgransurf/in.tribox.gran.surf2.0
passedgransurf/in.tribox.gran.surf.stl1.6
passedgranular/in.pour.drum3.7
passedgranular/in.pour.flatwall2.9
passedgranular/in.pour.heat25.8
passedgranular/in.restitution3.4
passedgranular/in.sync_verlet1.2
passedgranular/in.tableting.20012.6
passedgranular/in.triaxial.compaction.121.6
passedgrid/in.grid.2d0.6
passedgrid/in.grid.3d0.7
passedgrid/in.sph10.3
failedhyper/in.hyper.global16.4
completed, 291 abs diff and 291 rel diff checks failed
differs from step 4000 on (output row 26)
failedhyper/in.hyper.local4.0
failed, thermo checks skipped due to mismatched log files after the first run
failedindent/in.indent1.7
completed, 6 abs diff and 6 rel diff checks failed
differs from step 21000 on (output row 21)
failedindent/in.indent.min0.6
failed, thermo checks skipped due to mismatched number of steps in the log files
passedkim/in.lammps.melt1.0
failedmc/in.gcmc.co28.9
completed, 3 abs diff and 3 rel diff checks failed
differs from step 7000 on (output row 7)
failedmc/in.gcmc.h2o52.4
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
passedmc/in.gcmc.lj14.4
passedmc/in.gcmc.restart7.3
skippedmc/in.gemc.lj0.0
skipped, needs a multi-partition run ("partition")
failedmc/in.hmc.flexible.melt5.2
completed, 3 abs diff and 3 rel diff checks failed
differs from step 5250 on (output row 106)
failedmc/in.hmc.rigid8.2
completed, 6 abs diff and 6 rel diff checks failed
differs from step 100 on (output row 1)
passedmc/in.mixed13.2
passedmc/in.pure12.7
passedmc/in.sgcmc.eam15.5
passedmc/in.widom.lj1.5
skippedmc/in.widom.spce0.0
skipped as specified in the test configuration
passedmeam/in.meam0.5
failedmeam/in.meam.shear8.3
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1500 on (output row 20)
passedmeam/msmeam/in.msmeam0.5
passedmelt/in.melt0.6
failedmesh/in.marble_race55.3
completed, 5 abs diff and 5 rel diff checks failed
differs in the very first thermo output
the run needs 55 s: a production sized run that should be shortened in the repository
failedmesh/in.mesh_box3.1
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1400 on (output row 8)
failedmicelle/in.micelle0.6
completed, 0 abs diff and 1 rel diff checks failed
differs from step 1000 on (output row 41)
failedmicelle/in.micelle-rigid0.6
completed, 6 abs diff and 6 rel diff checks failed
differs from step 50 on (output row 12)
passedmin/in.min0.5
failedmin/in.min.box1.1
failed, thermo checks skipped due to mismatched number of steps in the log files
runtestmliap/in.mliap.ace.compute0.6
completed, but no Step nor Loop in the output
passedmliap/in.mliap.nn.Cu1.4
passedmliap/in.mliap.nn.Ta06A0.8
skippedmliap/in.mliap.pytorch.Ta06A0.0
skipped as specified in the test configuration
skippedmliap/in.mliap.pytorch.ace0.0
skipped as specified in the test configuration
skippedmliap/in.mliap.pytorch.ace.NN0.0
skipped as specified in the test configuration
skippedmliap/in.mliap.pytorch.relu1hidden0.0
skipped as specified in the test configuration
runtestmliap/in.mliap.quadratic.compute0.5
completed, but no Step nor Loop in the output
passedmliap/in.mliap.snap.Ta06A0.7
passedmliap/in.mliap.snap.WBe.PRB20191.1
passedmliap/in.mliap.snap.chem3.7
runtestmliap/in.mliap.snap.compute0.5
completed, but no Step nor Loop in the output
passedmliap/in.mliap.snap.quadratic0.9
runtestmliap/in.mliap.so3.Ni_Mo0.5
completed, but no Step nor Loop in the output
passedmliap/in.mliap.so3.nn.Si1.2
skippedmliap/in.mliap.unified.lj.Ar0.0
skipped as specified in the test configuration
failedmulti/in.colloid0.7
failed, thermo checks skipped due to mismatched number of steps in the log files
failedmulti/in.granular0.8
failed, thermo checks skipped due to mismatched number of steps in the log files
failedmulti/in.powerlaw1.2
failed, thermo checks skipped due to mismatched number of steps in the log files
passednb3b/in.nb3b1.7
passednb3b/in.nb3b.screened9.7
skippedneb/in.neb.hop10.0
skipped, needs a multi-partition run ("variable u uloop")
skippedneb/in.neb.hop1.end0.0
skipped, needs a multi-partition run ("variable u uloop")
skippedneb/in.neb.hop20.0
skipped, needs a multi-partition run ("variable u uloop")
skippedneb/in.neb.sivac0.0
skipped, needs a multi-partition run ("variable u uloop")
passednemd/in.nemd0.6
passednumdiff/in.numdiff0.6
failedobstacle/in.obstacle1.0
completed, 2 abs diff and 2 rel diff checks failed
differs from step 4000 on (output row 4)
runtestpeptide/in.peptide1.6
completed, error parsing log.peptide.4 into YAML
passedperi/in.peri-pmb3.6
passedperi/in.peri.eps6.1
passedperi/in.peri.lps5.3
passedperi/in.peri.pmb3.5
passedperi/in.peri.ves6.7
passedpour/in.pour4.9
passedpour/in.pour.2d1.1
passedpour/in.pour.2d.molecule1.3
skippedprd/in.prd0.0
skipped, needs a multi-partition run ("prd")
passedpython/in.fix_python_invoke0.8
runtestpython/in.fix_python_invoke_neighlist0.7
completed, numerical checks skipped due to missing the reference log file
passedpython/in.fix_python_move_nve_melt1.9
passedpython/in.fix_python_move_nve_melt_group1.4
passedpython/in.fix_python_move_nve_melt_opt0.8
passedpython/in.pair_python_coulomb1.4
passedpython/in.pair_python_harmonic8.2
failedpython/in.pair_python_hybrid3.3
completed, 0 abs diff and 3 rel diff checks failed
differs from step 300 on (output row 7)
passedpython/in.pair_python_long2.2
failedpython/in.pair_python_melt5.5
completed, 0 abs diff and 3 rel diff checks failed
differs from step 300 on (output row 7)
passedpython/in.pair_python_spce3.1
passedpython/in.pair_python_table0.7
passedpython/in.python0.7
passedpython/in.python.wrap0.5
passedqeq/in.qeq.buck5.3
passedqeq/in.qeq.reaxff0.6
failedrdf-adf/in.spce22.2
completed, 6 abs diff and 6 rel diff checks failed
differs in the very first thermo output
failedrdf-adf/in.spce.hbond18.4
completed, 5 abs diff and 5 rel diff checks failed
differs from step 200 on (output row 2)
failedreaxff/AB/in.AB2.0
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
failedreaxff/AuO/in.AuO3.1
completed, 1 abs diff and 2 rel diff checks failed
differs from step 5 on (output row 1)
failedreaxff/CHO/in.CHO2.5
completed, 2 abs diff and 2 rel diff checks failed
differs in the very first thermo output
passedreaxff/FC/in.FC4.0
failedreaxff/FeOH3/in.FeOH31.9
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
failedreaxff/HNS/in.reaxff.hns7.0
completed, 1 abs diff and 1 rel diff checks failed
differs from step 10 on (output row 1)
passedreaxff/RDX/in.RDX3.0
failedreaxff/VOH/in.VOH1.7
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
failedreaxff/ZnOH2/in.ZnOH20.9
completed, 2 abs diff and 1 rel diff checks failed
differs from step 100 on (output row 1)
passedreaxff/ci-reaxFF/in.ci-reax.CH5.7
passedreaxff/in.reaxff.rdx0.6
passedreaxff/in.reaxff.rdx-shielded0.7
passedreaxff/in.reaxff.tatb1.6
passedreaxff/in.reaxff.tatb-shielded1.6
passedreaxff/water/in.water.acks24.5
passedreaxff/water/in.water.acks2.field5.4
passedreaxff/water/in.water.qeq2.2
passedreaxff/water/in.water.qeq.field2.0
passedreaxff/water/in.water.qeqr2.3
passedreaxff/water/in.water.qeqr.field2.4
passedreaxff/water/in.water.qtpie2.6
passedreaxff/water/in.water.qtpie.field2.6
passedreplicate/in.replicate.bond.x0.9
passedreplicate/in.replicate.bond.x.noloop0.9
passedreplicate/in.replicate.bond.x.y1.1
passedreplicate/in.replicate.bond.xy1.0
passedreplicate/in.replicate.cnt2.4
failedrheo/balloon/in.rheo.balloon146.4
completed, 0 abs diff and 1 rel diff checks failed
differs from step 2400 on (output row 12)
the run needs 146 s: a production sized run that should be shortened in the repository
(last OK: 2026-07-28T00-52-56Z_73a17bb8cd)
passedrheo/dam-break/in.rheo.dam.break97.6
the run needs 98 s: a production sized run that should be shortened in the repository
failedrheo/ice-cubes/in.rheo.ice.cubes99.3
completed, 0 abs diff and 1 rel diff checks failed
differs from step 200 on (output row 1)
the run needs 99 s: a production sized run that should be shortened in the repository
(last OK: 2026-07-28T00-52-56Z_73a17bb8cd)
failedrheo/oxidation/in.rheo.oxidation124.5
completed, 0 abs diff and 1 rel diff checks failed
differs from step 800 on (output row 4)
the run needs 125 s: a production sized run that should be shortened in the repository
(last OK: 2026-07-28T00-52-56Z_73a17bb8cd)
failedrheo/poiseuille/in.rheo.poiseuille12.2
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)
passedrheo/taylor-green/in.rheo.taylor.green27.3
passedrigid/in.rigid0.6
passedrigid/in.rigid.atomfile0.7
passedrigid/in.rigid.atomvar0.7
passedrigid/in.rigid.cubes0.8
passedrigid/in.rigid.cubes.gravity0.8
passedrigid/in.rigid.cubes.langevin0.8
runtestrigid/in.rigid.cubes.multirun0.6
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.rigid.cubes.gravity.1, log.rigid.cubes.gravity.4, log.rigid.cubes.langevin.1, ... in this folder match no input script at all: check the names
passedrigid/in.rigid.cubes.nph0.8
passedrigid/in.rigid.cubes.npt1.0
passedrigid/in.rigid.cubes.nve0.8
passedrigid/in.rigid.cubes.nvt0.8
passedrigid/in.rigid.cubes.partial0.6
passedrigid/in.rigid.cubes.tri0.7
passedrigid/in.rigid.dipoles0.6
passedrigid/in.rigid.early0.7
passedrigid/in.rigid.ellipsoids0.6
passedrigid/in.rigid.gravity0.8
passedrigid/in.rigid.infile0.7
passedrigid/in.rigid.molecule0.7
failedrigid/in.rigid.nve0.7
completed, 3 abs diff and 3 rel diff checks failed
differs from step 50 on (output row 1)
failedrigid/in.rigid.nve.early0.7
completed, 3 abs diff and 3 rel diff checks failed
differs from step 50 on (output row 1)
passedrigid/in.rigid.property0.7
passedrigid/in.rigid.small0.8
passedrigid/in.rigid.small.infile0.8
passedrigid/in.rigid.spheres0.6
failedrigid/in.rigid.tnr5.7
completed, 22 abs diff and 27 rel diff checks failed
differs from step 4100 on (output row 41)
passedshear/in.shear1.4
passedshear/in.shear.void1.3
passedsnap/in.C_SNAP7.8
passedsnap/in.gaussian.grid0.5
passedsnap/in.snap.InP.JCPA20203.6
passedsnap/in.snap.Mo_Chen0.7
passedsnap/in.snap.Ta06A0.7
passedsnap/in.snap.W.29401.1
passedsnap/in.snap.WBe.PRB20191.1
runtestsnap/in.snap.compute0.5
completed, but no Step nor Loop in the output
runtestsnap/in.snap.compute.quadratic0.7
completed, but no Step nor Loop in the output
runtestsnap/in.snap.grid0.6
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
runtestsnap/in.snap.grid.triclinic0.5
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
passedsnap/in.snap.hybrid.WSNAP.HePair1.1
runtestsnap/in.snap.scale.Ni_Zuo_JCPA20201.3
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
no reference log file matches this input, while log.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
failedsrd/in.srd.mixture1.0
completed, 3 abs diff and 3 rel diff checks failed
differs from step 700 on (output row 9)
passedsrd/in.srd.pure1.5
passedsteinhardt/in.bcc0.5
passedsteinhardt/in.fcc0.5
passedsteinhardt/in.icos1.3
passedstreitz/in.ctip55.7
the run needs 56 s: a production sized run that should be shortened in the repository
runteststreitz/in.gan0.9
completed, numerical checks skipped due to missing the reference log file
failedstreitz/in.streitz.ewald16.3
completed, 1 abs diff and 1 rel diff checks failed
differs in the very first thermo output
failedstreitz/in.streitz.wolf20.4
failed, mismatched columns in the log files
passedstress_vcm/in.stress_vcm5.6
skippedtad/in.tad0.0
skipped, needs a multi-partition run ("tad")
failedtemplate/in.hybrid2.8
completed, 3 abs diff and 3 rel diff checks failed
differs from step 800 on (output row 8)
failedtemplate/in.mol-data-mix5.2
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
passedtemplate/in.mol-restart-mix11.5
failedtemplate/in.molecular-mix7.0
completed, 4 abs diff and 3 rel diff checks failed
differs from step 204 on (output row 3)
failedtemplate/in.template-mix6.7
completed, 4 abs diff and 3 rel diff checks failed
differs from step 204 on (output row 3)
failedtemplate/in.tmpl-data-mix4.9
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
passedtemplate/in.tmpl-restart-mix11.6
passedtersoff/in.hBN_shift0.7
passedtersoff/in.tersoff0.7
passedthreebody/in.mos2-bulk0.6
passedthreebody/in.mos2.rebomos4.5
passedthreebody/in.mos2.sw.mod1.0
passedthreebody/in.threebody1.0
passedtriclinic/in.bcc.orthog0.5
passedtriclinic/in.bcc.primitive0.5
passedtriclinic/in.data.general0.5
passedtriclinic/in.fcc.orthog0.6
passedtriclinic/in.fcc.primitive0.5
passedtriclinic/in.hex.orthog0.5
passedtriclinic/in.hex.primitive0.5
passedtriclinic/in.sq2.orthog0.5
passedtriclinic/in.sq2.primitive0.5
passedttm/in.ttm4.9
passedttm/in.ttm.cascade6.3
passedttm/in.ttm.grid5.1
passedttm/in.ttm.mod2.1
passedttm/in.ttm.thermal4.9
passedvashishta/in.vashishta.inp0.5
passedvashishta/in.vashishta.sio20.6
passedvashishta/in.vashishta.table.inp0.6
passedvashishta/in.vashishta.table.sio20.6
runtestvoronoi/in.voronoi2.9
completed, but no Step nor Loop in the output
runtestvoronoi/in.voronoi.2d0.5
completed, but no Step nor Loop in the output
runtestvoronoi/in.voronoi.data0.5
completed, but no Step nor Loop in the output
passedwall/in.wall.block1.4
passedwall/in.wall.ccl0.7
passedwall/in.wall.diffusive0.7
passedwall/in.wall.flow1.6
passedwall/in.wall.harmonic.2d1.1
passedwall/in.wall.harmonic.outside.2d1.2
passedwall/in.wall.lepton0.5
passedwall/in.wall.maxwell0.7
passedwall/in.wall.specular0.7
passedwall/in.wall.sphere1.1
passedwall/in.wall.table0.5
runtestyaml/in.yaml1.3
completed, error parsing log.yaml.4 into YAML