Full Regression: openmp — 2026-09-24T08-59-48Z_a0ab09d5bb

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

688
Tests
296
Passed
275
Failed
6
Errors
5
Timeouts
68
Runtest
38
Skipped

5 test(s) hit the time limit of the test harness (240 s limit) and are counted apart from the errors: whether they expire depends on the limit in force and on the load of the machine.

68 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 / MPI+OpenMP
shaa0ab09d5bb9972a71f2f89f945dab8f4bc263fb3
branchdevelop
versionpatch_2Sep2026-278-ga0ab09d5bb
generated2026-09-24T08:59:48Z
source_urlhttps://download.lammps.org/coverage/openmp.json
operating_systemOS: Linux "Fedora Linux 44 (Forty Four)" 7.2.5-200.fc44.x86_64 x86_64
git_infoGit info (develop / patch_2Sep2026-278-ga0ab09d5bb)
compilerCompiler: GNU C++ 16.2.1 20260819 (Red Hat 16.2.1-2) with OpenMP 5.2
compile_flags-DLAMMPS_GZIP -DLAMMPS_PNG -DLAMMPS_JPEG -DLAMMPS_FFMPEG -DLAMMPS_CURL -DLAMMPS_SMALLBIG
config_fileconfig_openmp.yaml
lmp_binary/home/akohlmey/compile/lammps-analyze/build-regression/lmp

Changes vs 2026-09-23T21-27-54Z_7fa970f51e

no changes vs previous run

Needs a fix in the examples tree (88)

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 (12)
  • PACKAGES/latboltz/diffusingsphere/in.trapnewsphere
    the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
  • PACKAGES/latboltz/microrheology/in.microrheology
    the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
  • PACKAGES/latboltz/pit_geometry/in.pits
    the run needs 75 s: a production sized run that should be shortened in the repository
  • PACKAGES/latboltz/planewall/in.planewall
    the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
  • PACKAGES/latboltz/polymer/in.polymer
    the run needs 217 s: a production sized run that should be shortened in the repository
  • PACKAGES/latboltz/translocation/in.translocation
    the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
  • bpm/pour/in.bpm.pour
    the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
  • rheo/balloon/in.rheo.balloon
    the run needs 127 s: a production sized run that should be shortened in the repository
  • rheo/dam-break/in.rheo.dam.break
    the run needs 73 s: a production sized run that should be shortened in the repository
  • rheo/ice-cubes/in.rheo.ice.cubes
    the run needs 189 s: a production sized run that should be shortened in the repository
  • rheo/oxidation/in.rheo.oxidation
    the run needs 207 s: a production sized run that should be shortened in the repository
  • streitz/in.ctip
    the run needs 60 s: a production sized run that should be shortened in the repository
reference log file matches no input (3)
  • 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
velocities depend on the MPI count (73)
  • PACKAGES/brownian/align_self/in.alignself_dipole
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Dec25.alignself_dipole.g++.4, which was written with 4 MPI processes instead of 2
  • PACKAGES/brownian/align_self/in.alignself_quat
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Dec25.alignself_quat.g++.4, which was written with 4 MPI processes instead of 2
  • PACKAGES/dispersion/in.d2
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Dec2024.d2.g++.4, which was written with 4 MPI processes instead of 2
  • PACKAGES/dispersion/in.d3
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Dec2024.d3.g++.4, which was written with 4 MPI processes instead of 2
  • PACKAGES/dpd-basic/dpd/in.dpd
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.5Apr22.dpd.g++.4, which was written with 4 MPI processes instead of 2
  • PACKAGES/dpd-basic/dpdext/in.dpdext
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.5Apr22.dpdext.g++.4, which was written with 4 MPI processes instead of 2
  • PACKAGES/dpd-meso/edpd/in.edpd
    velocity create with "loop local": cannot match log.21Apr23.edpd.g++.4, which was written with 4 MPI processes instead of 2
  • PACKAGES/dpd-meso/edpd/in.edpd-region
    velocity create with "loop local": cannot match log.21Apr23.edpd-region.g++.4, which was written with 4 MPI processes instead of 2
  • PACKAGES/dpd-meso/mdpd/in.mdpd
    velocity create with "loop local": cannot match log.16Aug17.mdpd.g++.4, which was written with 4 MPI processes instead of 2
  • PACKAGES/dpd-meso/tdpd/in.tdpd
    velocity create with "loop local": cannot match log.21Apr23.tdpd.g++.4, which was written with 4 MPI processes instead of 2
  • PACKAGES/dpd-meso/tdpd/in.tdpd-region
    velocity create with "loop local": cannot match log.21Apr23.tdpd-region.g++.4, which was written with 4 MPI processes instead of 2
  • PACKAGES/mgpt/in.bcc0
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.bcc0.g++.4, which was written with 4 MPI processes instead of 2
  • PACKAGES/mgpt/in.vac0-bcc
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.vac0-bcc.g++.4, which was written with 4 MPI processes instead of 2
  • PACKAGES/qtb/methane_qtb/in.methane_qtb
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.30Nov23.methane_qtb.g++.4, which was written with 4 MPI processes instead of 2
  • PACKAGES/shock/hugoniostat/in.hugoniostat
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.08Feb21.hugoniostat.g++.4, which was written with 4 MPI processes instead of 2
  • PACKAGES/shock/msst/in.msst
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.08Feb21.msst.g++.4, which was written with 4 MPI processes instead of 2
  • SPIN/cobalt_fcc/in.spin.cobalt_fcc
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.cobalt_fcc.g++.4, which was written with 4 MPI processes instead of 2
  • SPIN/cobalt_hcp/in.spin.cobalt_hcp
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.cobalt_hcp.g++.4, which was written with 4 MPI processes instead of 2
  • SPIN/dipole_spin/in.spin.iron_dipole_cut
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.iron_dipole_cut.g++.4, which was written with 4 MPI processes instead of 2
  • SPIN/dipole_spin/in.spin.iron_dipole_ewald
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.iron_dipole_ewald.g++.4, which was written with 4 MPI processes instead of 2
  • SPIN/dipole_spin/in.spin.iron_dipole_pppm
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.iron_dipole_pppm.g++.4, which was written with 4 MPI processes instead of 2
  • SPIN/iron/in.spin.iron
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.iron.g++.4, which was written with 4 MPI processes instead of 2
  • SPIN/iron/in.spin.iron_cubic
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.iron_cubic.g++.4, which was written with 4 MPI processes instead of 2
  • SPIN/nickel/in.spin.nickel
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.nickel.g++.4, which was written with 4 MPI processes instead of 2
  • SPIN/nickel/in.spin.nickel_cubic
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.nickel_cubic.g++.4, which was written with 4 MPI processes instead of 2
  • balance/in.balance.clock.dynamic
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.clock.dynamic.g++.4, which was written with 4 MPI processes instead of 2
  • balance/in.balance.clock.static
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.clock.static.g++.4, which was written with 4 MPI processes instead of 2
  • balance/in.balance.group.dynamic
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.group.dynamic.g++.4, which was written with 4 MPI processes instead of 2
  • balance/in.balance.group.static
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.group.static.g++.4, which was written with 4 MPI processes instead of 2
  • balance/in.balance.kspace
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.kspace.g++.4, which was written with 4 MPI processes instead of 2
  • balance/in.balance.neigh.dynamic
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.neigh.dynamic.g++.4, which was written with 4 MPI processes instead of 2
  • balance/in.balance.neigh.rcb
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.neigh.rcb.g++.4, which was written with 4 MPI processes instead of 2
  • balance/in.balance.neigh.static
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.neigh.static.g++.4, which was written with 4 MPI processes instead of 2
  • balance/in.balance.var.dynamic
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.var.dynamic.g++.4, which was written with 4 MPI processes instead of 2
  • bpm/wires/in.bpm.wires
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.16Apr2026.bpm.wires.g++.4, which was written with 4 MPI processes instead of 2
  • comb/in.comb.Cu
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.comb.Cu.g++.4, which was written with 4 MPI processes instead of 2
  • comb/in.comb.Si
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.comb.Si.g++.4, which was written with 4 MPI processes instead of 2
  • comb/in.comb.Si.elastic
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.comb.Si.elastic.g++.4, which was written with 4 MPI processes instead of 2
  • crack/in.crack
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.crack.g++.4, which was written with 4 MPI processes instead of 2
  • dipole/in.charge_dipole
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.26Jun26.charge_dipole.g++.4, which was written with 4 MPI processes instead of 2
  • dipole/in.dipole
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.dipole.g++.4, which was written with 4 MPI processes instead of 2
  • flow/in.flow.couette
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.flow.couette.g++.4, which was written with 4 MPI processes instead of 2
  • flow/in.flow.pois
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.flow.pois.g++.4, which was written with 4 MPI processes instead of 2
  • friction/in.friction
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.friction.g++.4, which was written with 4 MPI processes instead of 2
  • indent/in.indent
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.indent.g++.4, which was written with 4 MPI processes instead of 2
  • mc/in.gcmc.co2
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.30Mar26.gcmc.co2.g++.4, which was written with 4 MPI processes instead of 2
  • mc/in.gcmc.h2o
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.30Mar26.gcmc.h2o.g++.4, which was written with 4 MPI processes instead of 2
  • mc/in.gcmc.restart
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.30Mar26.gcmc.restart.g++.4, which was written with 4 MPI processes instead of 2
  • meam/in.meam.shear
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.meam.shear.g++.4, which was written with 4 MPI processes instead of 2
  • mesh/in.marble_race
    velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11May22.marble_race.g++.4, which was written with 4 MPI processes instead of 2
  • ... and 23 more

Worth investigating (109)

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 (23)

Differs within the first 200 steps (86)

Differs after 200 to 1000 steps (38)
  • ASPHERE/box/in.box
    differs from step 1000 on (output row 12)
  • ASPHERE/box/in.box.mp
    differs from step 1000 on (output row 12)
  • ASPHERE/dimer/in.dimer
    differs from step 1000 on (output row 12)
  • ASPHERE/ellipsoid/in.ellipsoid
    differs from step 1000 on (output row 10)
  • ASPHERE/ellipsoid/in.ellipsoid.mp
    differs from step 1000 on (output row 10)
  • ASPHERE/line/in.line.srd
    differs from step 1000 on (output row 1)
  • ASPHERE/poly/in.poly
    differs from step 1000 on (output row 3)
  • ASPHERE/poly/in.poly.mp
    differs from step 1000 on (output row 3)
  • ASPHERE/star/in.star
    differs from step 1000 on (output row 12)
  • ASPHERE/star/in.star.mp
    differs from step 1000 on (output row 12)
  • PACKAGES/addtorque_group/in.addtorque
    differs from step 1000 on (output row 1)
  • PACKAGES/brownian/2d_velocity/in.2d.velocity
    differs from step 500 on (output row 1)
  • PACKAGES/eff/CH4/in.ch4.dynamics
    differs from step 1000 on (output row 1)
  • PACKAGES/eff/CH4/in.ch4_ionized.dynamics
    differs from step 719 on (output row 1)
  • PACKAGES/machdyn/funnel_flow/in.funnel_flow
    differs from step 800 on (output row 9)
  • PACKAGES/manybody_table/in.spce
    differs from step 400 on (output row 4)
  • PACKAGES/manybody_table/in.spce2
    differs from step 400 on (output row 4)
  • PACKAGES/manybody_table/in.spce_sw
    differs from step 1000 on (output row 10)
  • PACKAGES/pedone/in.pedone.melt
    differs from step 600 on (output row 6)
  • PACKAGES/qtb/alpha_quartz_qtb/in.alpha_quartz_qtb
    differs from step 500 on (output row 1)
  • PACKAGES/shock/nemd/in.nemd
    differs from step 1000 on (output row 2)
  • body/in.cubes
    differs from step 1000 on (output row 1)
  • body/in.squares
    differs from step 1000 on (output row 1)
  • body/in.wall2d
    differs from step 1000 on (output row 1)
  • granregion/in.granregion.box
    differs from step 400 on (output row 4)
  • mc/in.gcmc.lj
    differs from step 1000 on (output row 1)
  • mc/in.hmc.flexible.melt
    differs from step 850 on (output row 17)
  • mc/in.mixed
    differs from step 1000 on (output row 1)
  • mc/in.pure
    differs from step 1000 on (output row 1)
  • micelle/in.micelle
    differs from step 850 on (output row 38)
  • nb3b/in.nb3b.screened
    differs from step 700 on (output row 7)
  • peri/in.peri-pmb
    differs from step 1000 on (output row 10)
  • peri/in.peri.pmb
    differs from step 1000 on (output row 10)
  • peri/in.peri.ves
    differs from step 900 on (output row 9)
  • rdf-adf/in.spce
    differs from step 300 on (output row 3)
  • rdf-adf/in.spce.hbond
    differs from step 300 on (output row 3)
  • rigid/in.rigid.cubes.nph
    differs from step 600 on (output row 3)
  • rigid/in.rigid.cubes.npt
    differs from step 600 on (output row 3)
Differs only after 1000 steps, consistent with chaos (38)
  • ASPHERE/line/in.line
    differs from step 5000 on (output row 5)
  • PACKAGES/bocs/in.methanol
    differs from step 3000 on (output row 6)
  • PACKAGES/cauchy/in.cauchystat
    differs from step 1800 on (output row 19)
  • PACKAGES/eff/fixed-core/CH4/in.CH4fc.bohr
    differs from step 5760 on (output row 578)
  • PACKAGES/gjf/in.gjf.vfull
    differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
  • PACKAGES/gjf/in.gjf.vhalf
    differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
  • PACKAGES/machdyn/fluid_structure_interaction/in.fluid_structure_interaction
    differs from step 4000 on (output row 40)
  • PACKAGES/pafi/in.pafi
    differs from step 1100 on (output row 15)
  • PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized
    differs from step 1150 on (output row 23)
  • PACKAGES/reaction/tiny_nylon_json/in.tiny_nylon.stabilized
    differs from step 1150 on (output row 23)
  • PACKAGES/reaction/tiny_nylon_wildcards/in.tiny_nylon.stabilized
    differs from step 1150 on (output row 23)
  • PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized
    differs from step 10000 on (output row 1), but the thermo output is too sparse to tell when it started
  • PACKAGES/rhok/in.crystal
    differs from step 2050 on (output row 41)
  • PACKAGES/rhok/in.pinning
    differs from step 1300 on (output row 26)
  • balance/in.balance
    differs from step 6000 on (output row 60)
  • balance/in.balance.bond.fast
    differs from step 2400 on (output row 24)
  • bpm/impact/in.bpm.impact.spring
    differs from step 4300 on (output row 43)
  • bpm/plasticity/in.bpm.plasticity
    differs from step 1200 on (output row 12)
  • bpm/poissons_ratio/in.bpm.poissons_ratio
    differs from step 1700 on (output row 17)
  • cmap/in.cmap
    differs from step 10000 on (output row 10)
  • colloid/in.colloid
    differs from step 7000 on (output row 7)
  • controller/in.controller.wall
    differs from step 1500 on (output row 3)
  • ellipse/in.ellipse.gayberne
    differs from step 2600 on (output row 27)
  • gransurf/in.line.gran.data
    differs from step 2100 on (output row 21)
  • gransurf/in.line.gran.global
    differs from step 2600 on (output row 26)
  • gransurf/in.line.gran.surf
    differs from step 2100 on (output row 21)
  • gransurf/in.tri.gran.data
    differs from step 1900 on (output row 19)
  • gransurf/in.tri.gran.global
    differs from step 2200 on (output row 22)
  • gransurf/in.tri.gran.global.stl
    differs from step 2200 on (output row 22)
  • gransurf/in.tri.gran.surf
    differs from step 1900 on (output row 19)
  • gransurf/in.tri.gran.surf.stl
    differs from step 1900 on (output row 19)
  • gransurf/in.tribox.gran.data
    differs from step 2000 on (output row 20)
  • gransurf/in.tribox.gran.global
    differs from step 1700 on (output row 17)
  • gransurf/in.tribox.gran.global.stl
    differs from step 4100 on (output row 41)
  • gransurf/in.tribox.gran.surf
    differs from step 1800 on (output row 18)
  • gransurf/in.tribox.gran.surf.stl
    differs from step 3900 on (output row 39)
  • replicate/in.replicate.bond.x
    differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
  • replicate/in.replicate.bond.x.noloop
    differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started

Not really tested (106)

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 (68)

27no reference log file, run as a crash test
23log file could not be parsed
11no thermo output to compare
7no reference log file, not shortened

○ skipped – Not run at all (38)

35excluded by the test configuration
3needs a multi-partition run

All tests

StatusTestTime (s)Details
✗ failedASPHERE/box/in.box6.6
completed, 2 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 12)
✗ failedASPHERE/box/in.box.mp6.9
completed, 2 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 12)
✗ failedASPHERE/dimer/in.dimer2.7
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 12)
○ skippedASPHERE/dimer/in.dimer.mp0.0
skipped as specified in the test configuration
✗ failedASPHERE/ellipsoid/in.ellipsoid3.5
completed, 3 abs diff and 4 rel diff checks failed
differs from step 1000 on (output row 10)
✗ failedASPHERE/ellipsoid/in.ellipsoid.mp4.2
completed, 3 abs diff and 4 rel diff checks failed
differs from step 1000 on (output row 10)
✗ failedASPHERE/flat_membrane/in.flat_membrane4.1
completed, 2 abs diff and 2 rel diff checks failed
differs from step 200 on (output row 1)
✗ failedASPHERE/line/in.line2.0
completed, 2 abs diff and 2 rel diff checks failed
differs from step 5000 on (output row 5)
✗ failedASPHERE/line/in.line.srd17.8
completed, 4 abs diff and 4 rel diff checks failed
differs from step 1000 on (output row 1)
✗ failedASPHERE/poly/in.poly2.8
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 3)
✗ failedASPHERE/poly/in.poly.mp2.9
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 3)
✗ failedASPHERE/star/in.star4.7
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 12)
✗ failedASPHERE/star/in.star.mp5.4
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 12)
✓ passedASPHERE/superellipsoid_gran/in.bowling0.4
✓ passedASPHERE/superellipsoid_gran/in.drop_test4.8
✓ passedASPHERE/superellipsoid_gran/in.ellipsoid_gran0.4
◉ runtestASPHERE/superellipsoid_gran/in.super_table0.7
completed, numerical checks skipped due to missing the reference log file
✗ failedASPHERE/tri/in.tri.srd41.9
completed, 4 abs diff and 4 rel diff checks failed
differs in the very first thermo output
✗ failedASPHERE/vesicle/in.vesicle2.8
completed, 1 abs diff and 2 rel diff checks failed
differs from step 200 on (output row 1)
✓ passedLEPTON/in.efield-lepton1.5
✗ failedPACKAGES/addtorque_group/in.addtorque10.6
completed, 3 abs diff and 4 rel diff checks failed
differs from step 1000 on (output row 1)
✗ failedPACKAGES/baoab/in.baoab_lj0.8
completed, 8 abs diff and 8 rel diff checks failed
differs from step 100 on (output row 1)
(last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✓ passedPACKAGES/bocs/1_site_just_pair_LD/in.basic_ldd1.4
✗ failedPACKAGES/bocs/4_sites_LD_SG/in.ldd_create_data2.4
completed, 2 abs diff and 2 rel diff checks failed
differs in the very first thermo output
(last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✓ passedPACKAGES/bocs/4_sites_LD_SG/in.ldd_molecule1.8
✗ failedPACKAGES/bocs/in.methanol4.5
completed, 4 abs diff and 4 rel diff checks failed
differs from step 3000 on (output row 6)
✓ passedPACKAGES/bondval/in.hexbto7.1
✗ failedPACKAGES/brownian/2d_velocity/in.2d.velocity0.8
completed, 1 abs diff and 1 rel diff checks failed
differs from step 500 on (output row 1)
✗ failedPACKAGES/brownian/align_self/in.alignself_dipole3.4
completed, 6 abs diff and 6 rel diff checks failed
differs from step 1000 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Dec25.alignself_dipole.g++.4, which was written with 4 MPI processes instead of 2
✗ failedPACKAGES/brownian/align_self/in.alignself_quat5.0
completed, 6 abs diff and 6 rel diff checks failed
differs from step 1000 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Dec25.alignself_quat.g++.4, which was written with 4 MPI processes instead of 2
✓ passedPACKAGES/brownian/asphere/in.2d.ellipsoid1.1
✓ passedPACKAGES/brownian/asphere/in.3d.ellipsoid1.1
✓ passedPACKAGES/brownian/point/in.2d.point0.7
✓ passedPACKAGES/brownian/point/in.3d.point0.9
✓ passedPACKAGES/brownian/sphere/in.2d.sphere0.7
✓ passedPACKAGES/brownian/sphere/in.3d.sphere1.0
✗ failedPACKAGES/brownian/spherical_ABP/in.2d.abp1.6
completed, 1 abs diff and 1 rel diff checks failed
differs from step 0 on (output row 51)
✓ passedPACKAGES/brownian/spherical_ABP/in.3d.ideal_abp3.7
✗ failedPACKAGES/cauchy/in.cauchystat0.9
completed, 1 abs diff and 1 rel diff checks failed
differs from step 1800 on (output row 19)
✓ passedPACKAGES/cgdna/examples/lj_units/oxDNA/duplex1/in.duplex10.5
✓ passedPACKAGES/cgdna/examples/lj_units/oxDNA/duplex2/in.duplex20.5
✓ 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.duplex10.5
✓ passedPACKAGES/cgdna/examples/lj_units/oxDNA2/duplex2/in.duplex20.5
✓ passedPACKAGES/cgdna/examples/lj_units/oxDNA2/duplex3/in.duplex30.5
✓ passedPACKAGES/cgdna/examples/lj_units/oxDNA2/potential_file/in.duplex10.5
✓ passedPACKAGES/cgdna/examples/lj_units/oxDNA3/duplex2/in.duplex20.5
○ 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.duplex20.7
✓ passedPACKAGES/cgdna/examples/lj_units/oxRNA2/potential_file/in.duplex20.5
✓ passedPACKAGES/cgdna/examples/real_units/oxDNA/duplex1/in.duplex10.5
✓ passedPACKAGES/cgdna/examples/real_units/oxDNA/duplex2/in.duplex20.6
✓ passedPACKAGES/cgdna/examples/real_units/oxDNA/potential_file/in.duplex10.5
✓ 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.duplex20.6
✓ passedPACKAGES/cgdna/examples/real_units/oxDNA2/duplex3/in.duplex30.6
✓ passedPACKAGES/cgdna/examples/real_units/oxDNA2/potential_file/in.duplex10.6
✓ passedPACKAGES/cgdna/examples/real_units/oxDNA3/duplex2/in.duplex20.6
○ 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-hybrid1.9
✓ passedPACKAGES/cgspica/sds-monolayer/in.sds-regular1.9
✗ failedPACKAGES/charge_regulation/in.chreg-acid0.9
completed, 1 abs diff and 1 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedPACKAGES/charge_regulation/in.chreg-acid-real1.1
completed, 1 abs diff and 1 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedPACKAGES/charge_regulation/in.chreg-polymer1.0
completed, 1 abs diff and 1 rel diff checks failed
differs from step 100 on (output row 1)
✓ passedPACKAGES/class2xe/in.NVT_class2xe.script0.4
✓ passedPACKAGES/cnp/in.cnp6.2
✓ passedPACKAGES/dielectric/in.confined.dof2.5
✓ passedPACKAGES/dielectric/in.confined.gmres0.6
✓ passedPACKAGES/dielectric/in.confined.icc0.7
✓ passedPACKAGES/dielectric/in.nopbc.dof1.0
✓ passedPACKAGES/dielectric/in.nopbc.gmres0.5
✓ passedPACKAGES/dielectric/in.nopbc.icc0.4
✓ passedPACKAGES/diffraction/in.BulkNi32.8
✗ failedPACKAGES/dispersion/in.d22.0
completed, 4 abs diff and 4 rel diff checks failed
differs from step 10 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Dec2024.d2.g++.4, which was written with 4 MPI processes instead of 2
✗ failedPACKAGES/dispersion/in.d33.7
completed, 4 abs diff and 4 rel diff checks failed
differs from step 10 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Dec2024.d3.g++.4, which was written with 4 MPI processes instead of 2
✗ failedPACKAGES/dpd-basic/dpd/in.dpd0.6
completed, 2 abs diff and 2 rel diff checks failed
differs in the very first thermo output
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.5Apr22.dpd.g++.4, which was written with 4 MPI processes instead of 2
✗ failedPACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long1.0
completed, 4 abs diff and 4 rel diff checks failed
differs in the very first thermo output
(last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failedPACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat2.6
completed, 2 abs diff and 2 rel diff checks failed
differs in the very first thermo output
✗ failedPACKAGES/dpd-basic/dpdext/in.dpdext0.8
completed, 2 abs diff and 2 rel diff checks failed
differs in the very first thermo output
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.5Apr22.dpdext.g++.4, which was written with 4 MPI processes instead of 2
✗ failedPACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat6.3
completed, 2 abs diff and 2 rel diff checks failed
differs in the very first thermo output
⚠ errorPACKAGES/dpd-meso/edpd/in.edpd1.2
failed, ERROR on proc 0: Non-numeric atom coords - simulation unstable
velocity create with "loop local": cannot match log.21Apr23.edpd.g++.4, which was written with 4 MPI processes instead of 2
⚠ errorPACKAGES/dpd-meso/edpd/in.edpd-region1.6
failed, ERROR on proc 0: Non-numeric atom coords - simulation unstable
velocity create with "loop local": cannot match log.21Apr23.edpd-region.g++.4, which was written with 4 MPI processes instead of 2
✗ failedPACKAGES/dpd-meso/mdpd/in.mdpd37.8
completed, 3 abs diff and 3 rel diff checks failed
differs in the very first thermo output
velocity create with "loop local": cannot match log.16Aug17.mdpd.g++.4, which was written with 4 MPI processes instead of 2
✗ failedPACKAGES/dpd-meso/tdpd/in.tdpd23.0
completed, 6 abs diff and 6 rel diff checks failed
differs in the very first thermo output
velocity create with "loop local": cannot match log.21Apr23.tdpd.g++.4, which was written with 4 MPI processes instead of 2
✗ failedPACKAGES/dpd-meso/tdpd/in.tdpd-region23.2
completed, 6 abs diff and 6 rel diff checks failed
differs in the very first thermo output
velocity create with "loop local": cannot match log.21Apr23.tdpd-region.g++.4, which was written with 4 MPI processes instead of 2
◉ 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-vv0.9
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-vv0.9
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/dpd-react/dpdh-shardlow/in.dpdh-shardlow1.7
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.lammps1.0
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.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.lammps0.7
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
no reference log file matches this input, while log.28Mar23.2d-diffusion.g++.1, log.28Mar23.2d-diffusion.g++.4 in this folder match no input script at all: check the names
◉ runtestPACKAGES/dpd-smooth/equipartition-verification/in.lammps8.4
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
✗ failedPACKAGES/drude/butane/in.butane.lang15.0
completed, 5 abs diff and 5 rel diff checks failed
differs from step 50 on (output row 1)
✗ failedPACKAGES/drude/butane/in.butane.nh12.7
completed, 4 abs diff and 3 rel diff checks failed
differs from step 150 on (output row 3)
✗ failedPACKAGES/drude/butane/in.butane.tgnh13.6
completed, 5 abs diff and 5 rel diff checks failed
differs from step 50 on (output row 1)
✗ failedPACKAGES/drude/ethanol/in.ethanol.lang12.1
completed, 5 abs diff and 5 rel diff checks failed
differs from step 20 on (output row 1)
✗ failedPACKAGES/drude/ethanol/in.ethanol.nh11.1
completed, 5 abs diff and 5 rel diff checks failed
differs from step 60 on (output row 3)
✗ failedPACKAGES/drude/ethanol/in.ethanol.tgnh12.1
completed, 5 abs diff and 5 rel diff checks failed
differs from step 20 on (output row 1)
✗ failedPACKAGES/drude/ethylene_glycol/in.ethylene_glycol6.0
completed, 4 abs diff and 3 rel diff checks failed
differs from step 50 on (output row 1)
✗ failedPACKAGES/drude/swm4-ndp/in.swm4-ndp.lang14.7
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.nh16.4
completed, 5 abs diff and 5 rel diff checks failed
differs from step 20 on (output row 1)
✗ failedPACKAGES/drude/toluene/in.toluene.lang16.1
completed, 5 abs diff and 5 rel diff checks failed
differs from step 50 on (output row 1)
✗ failedPACKAGES/drude/toluene/in.toluene.nh17.2
completed, 5 abs diff and 5 rel diff checks failed
differs from step 50 on (output row 1)
✓ passedPACKAGES/e3b/in.e3b-tip4p20051.0
✗ failedPACKAGES/edip/in.edip-Si0.5
completed, 3 abs diff and 3 rel diff checks failed
differs in the very first thermo output
(last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failedPACKAGES/edip/in.edip-Si-multi0.5
completed, 3 abs diff and 3 rel diff checks failed
differs in the very first thermo output
(last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✓ passedPACKAGES/edip/in.edip-SiC0.5
✓ passedPACKAGES/ees/in.fix_wall0.6
✓ passedPACKAGES/ees/in.fix_wall_region0.8
✗ failedPACKAGES/eff/Auger-Adamantane/in.adamantane_ionized.nve48.0
failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passedPACKAGES/eff/Be-solid/in.Be-solid.spe4.8
✗ failedPACKAGES/eff/CH4/in.ch4.dynamics1.4
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 1)
✓ passedPACKAGES/eff/CH4/in.ch4.min0.5
✗ failedPACKAGES/eff/CH4/in.ch4_ionized.dynamics16.3
completed, 8 abs diff and 9 rel diff checks failed
differs from step 719 on (output row 1)
✗ failedPACKAGES/eff/ECP/Si2H6/in.Si2H60.4
completed, 0 abs diff and 1 rel diff checks failed
differs from step 54 on (output row 27)
✗ failedPACKAGES/eff/ECP/Si2H6/in.Si2H6.ang3.7
completed, 4 abs diff and 5 rel diff checks failed
differs from step 50 on (output row 5)
✓ passedPACKAGES/eff/ECP/SiC/bulk/in.SiC12.2
◉ runtestPACKAGES/eff/ECP/SiH4/in.SiH40.5
completed, error parsing log.SiH4.2 into YAML
◉ runtestPACKAGES/eff/ECP/SiH4/in.SiH4.ang0.5
completed, error parsing log.SiH4.ang.2 into YAML
✓ passedPACKAGES/eff/H/in.h_atom.spe.ang0.5
✓ passedPACKAGES/eff/H/in.h_atom.spe.bohr0.4
✓ passedPACKAGES/eff/H2/in.h22.2
✓ passedPACKAGES/eff/H_plasma/in.h2bulk.npt16.0
✓ passedPACKAGES/eff/H_plasma/in.h2bulk.nve31.6
✓ passedPACKAGES/eff/H_plasma/in.h2bulk.nve.ang30.4
✓ passedPACKAGES/eff/Li-dendritic/in.Li-dendritic.min13.7
✗ failedPACKAGES/eff/Li-dendritic/in.Li-dendritic.nvt26.5
completed, 2 abs diff and 0 rel diff checks failed
differs from step 70 on (output row 7)
✓ passedPACKAGES/eff/Li-solid/in.Li.ang27.8
✓ passedPACKAGES/eff/Li-solid/in.Li.bohr20.9
✗ failedPACKAGES/eff/fixed-core/C2H6/in.C2H6fc.ang2.2
completed, 3 abs diff and 3 rel diff checks failed
differs from step 63 on (output row 1)
✗ failedPACKAGES/eff/fixed-core/C2H6/in.C2H6fc.bohr0.7
completed, 1 abs diff and 3 rel diff checks failed
differs from step 47 on (output row 1)
✗ failedPACKAGES/eff/fixed-core/CH4/in.CH4fc.ang4.4
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.bohr0.9
completed, 4 abs diff and 4 rel diff checks failed
differs from step 5760 on (output row 578)
✓ passedPACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.ang0.4
✓ passedPACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.bohr0.4
✓ passedPACKAGES/electrode/graph-il/in.graph-il-conp18.7
✓ passedPACKAGES/electrode/graph-il/in.graph-il-conq19.6
✓ passedPACKAGES/electrode/graph-il/in.graph-il-conq218.3
✓ passedPACKAGES/electrode/graph-il/in.graph-il-etypes19.4
✓ passedPACKAGES/electrode/graph-il/in.graph-il-ffield17.3
✓ passedPACKAGES/electrode/graph-il/in.graph-il-ramp18.6
✓ passedPACKAGES/electrode/graph-il/in.graph-il-thermo19.3
✓ passedPACKAGES/electrode/madelung/in.madelung-cg0.4
✓ passedPACKAGES/electrode/madelung/in.madelung-eta0.5
✓ passedPACKAGES/electrode/madelung/in.madelung-eta_cg0.5
✓ passedPACKAGES/electrode/madelung/in.madelung-eta_mix0.4
✓ passedPACKAGES/electrode/madelung/in.madelung-ewald-ew2d0.5
✓ passedPACKAGES/electrode/madelung/in.madelung-ewald-ew3dc0.5
✓ passedPACKAGES/electrode/madelung/in.madelung-ewald-ffield0.4
✓ passedPACKAGES/electrode/madelung/in.madelung-pppm-ew3dc0.5
✓ passedPACKAGES/electrode/madelung/in.madelung-pppm-ffield0.4
✓ passedPACKAGES/electrode/planar/in.planar-ewald-ew2d0.5
✓ passedPACKAGES/electrode/planar/in.planar-ewald-ew3dc0.5
✓ passedPACKAGES/electrode/planar/in.planar-ewald-ffield0.5
✓ passedPACKAGES/electrode/planar/in.planar-pppm-ew3dc0.8
✓ passedPACKAGES/electrode/planar/in.planar-pppm-ffield0.9
✓ passedPACKAGES/electron_stopping/in.cascade_AlCu1.9
✓ passedPACKAGES/electron_stopping/in.cascade_SiSi2.7
✓ passedPACKAGES/electron_stopping/in.elstop5.1
✓ passedPACKAGES/electron_stopping/in.elstop.only0.9
◉ runtestPACKAGES/entropy/in.entropy0.8
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✗ failedPACKAGES/extep/in.extep-bn0.7
completed, 3 abs diff and 1 rel diff checks failed
differs from step 60 on (output row 6)
◉ runtestPACKAGES/fep/C7inEthanol/fep01/in.insertion0.5
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/fep/C7inEthanol/fep10/in.deletion0.5
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/fep/CC-CO/fep01/in.fep01.lmp1.1
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/fep/CC-CO/fep10/in.fep10.lmp0.8
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.lmp0.7
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/fep/CH4-CF4/fep01/in.fep01.lmp0.7
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/fep/CH4-CF4/fep10/in.fep10.lmp0.7
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/fep/CH4hyd/fdti01/in.fdti01.lmp1.1
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/fep/CH4hyd/fdti10/in.fdti10.lmp1.1
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/fep/CH4hyd/fep01/in.fep01.lmp0.8
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.lmp1.8
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/filter_corotate/in.bpti6.3
completed, error parsing log.bpti.2 into YAML
✗ failedPACKAGES/filter_corotate/in.respa22.5
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 2)
✓ passedPACKAGES/flow_gauss/in.GD1.1
✓ passedPACKAGES/frenkel/in.frenkel1.3
◉ runtestPACKAGES/gauss_diel/in.gauss-diel0.6
completed, error parsing log.gauss-diel.smoke.2 into YAML
◉ runtestPACKAGES/gauss_diel/in.gauss-diel-cg0.5
completed, error parsing log.gauss-diel-cg.smoke.2 into YAML
◉ runtestPACKAGES/gauss_diel/in.gauss-diel-split0.6
completed, error parsing log.gauss-diel-split.smoke.2 into YAML
✗ failedPACKAGES/gjf/in.gjf.vfull4.3
completed, 6 abs diff and 6 rel diff checks failed
differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
✗ failedPACKAGES/gjf/in.gjf.vhalf4.6
completed, 6 abs diff and 6 rel diff checks failed
differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
✗ failedPACKAGES/gle/in.h2o-quantum5.4
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedPACKAGES/gle/in.h2o-smart4.5
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
◉ runtestPACKAGES/hma/in.hma27.0
completed, but no Step nor Loop in the output
✗ failedPACKAGES/ilves/in.cg-polymers1.2
completed, 7 abs diff and 7 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedPACKAGES/ilves/in.covid21.9
completed, 3 abs diff and 1 rel diff checks failed
differs in the very first thermo output
◉ runtestPACKAGES/ilves/in.dimer0.7
completed, error parsing log.dimer.2 into YAML
◉ runtestPACKAGES/ilves/in.peptide-allbonds1.6
completed, error parsing log.peptide-allbonds.2 into YAML
◉ runtestPACKAGES/ilves/in.peptide-fixed1.4
completed, error parsing log.peptide-fixed.2 into YAML
◉ runtestPACKAGES/ilves/in.peptide-ilves1.5
completed, error parsing log.peptide-ilves.2 into YAML
◉ runtestPACKAGES/ilves/in.peptide-mix1.4
completed, error parsing log.peptide-mix.2 into YAML
◉ runtestPACKAGES/ilves/in.peptide-rattle1.6
completed, error parsing log.peptide-rattle.2 into YAML
◉ runtestPACKAGES/ilves/in.peptide-shake1.3
completed, error parsing log.peptide-shake.2 into YAML
✗ failedPACKAGES/ilves/in.polymelt7.9
completed, 2 abs diff and 3 rel diff checks failed
differs in the very first thermo output
◉ runtestPACKAGES/ilves/in.rhodo-allbonds11.9
completed, error parsing log.rhodo-allbonds.2 into YAML
◉ runtestPACKAGES/ilves/in.rhodo-ilves10.7
completed, error parsing log.rhodo-ilves.2 into YAML
◉ runtestPACKAGES/ilves/in.rhodo-shake9.5
completed, error parsing log.rhodo-shake.2 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_water9.8
✓ passedPACKAGES/interlayer/aip_water_2dm/in.gr_water.opt5.0
✗ failedPACKAGES/interlayer/drip/in.CH_drip1.1
failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failedPACKAGES/interlayer/drip/in.C_drip0.9
completed, 2 abs diff and 2 rel diff checks failed
differs in the very first thermo output
⚠ errorPACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene0.9
failed, no Total wall time in the output,
✓ passedPACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBN29.6
✓ passedPACKAGES/interlayer/ilp_graphene_hbn/in.grhBN28.0
✓ passedPACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn27.4
✗ failedPACKAGES/interlayer/ilp_tmds/in.mos222.3
completed, 1 abs diff and 0 rel diff checks failed
differs from step 100 on (output row 1)
⚠ errorPACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphene0.9
failed, no Total wall time in the output,
✓ passedPACKAGES/interlayer/kolmogorov_crespi_z/in.atom-diffusion0.6
✓ passedPACKAGES/interlayer/kolmogorov_crespi_z/in.bilayer-graphene0.8
✓ passedPACKAGES/interlayer/saip_metal/in.gold_gr3.9
✗ failedPACKAGES/interlayer/saip_metal_tmd/in.au_mos225.3
completed, 3 abs diff and 2 rel diff checks failed
differs from step 100 on (output row 1)
◴ timeoutPACKAGES/latboltz/diffusingsphere/in.trapnewsphere240.0
failed, no Total wall time in the output, timeout (240s expired)
the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
◴ timeoutPACKAGES/latboltz/microrheology/in.microrheology240.0
failed, no Total wall time in the output, timeout (240s expired)
the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/latboltz/pit_geometry/in.pits75.2
the run needs 75 s: a production sized run that should be shortened in the repository
◴ timeoutPACKAGES/latboltz/planewall/in.planewall240.0
failed, no Total wall time in the output, timeout (240s expired)
the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
✗ failedPACKAGES/latboltz/polymer/in.polymer216.9
completed, 3 abs diff and 3 rel diff checks failed
differs from step 10000 on (output row 1), but the thermo output is too sparse to tell when it started
the run needs 217 s: a production sized run that should be shortened in the repository
◴ timeoutPACKAGES/latboltz/translocation/in.translocation240.0
failed, no Total wall time in the output, timeout (240s expired)
the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
◉ runtestPACKAGES/local_density/benzene_water/in.benzene_water10.4
completed, but no Step nor Loop in the output
◉ runtestPACKAGES/local_density/methanol_implicit_water/in.methanol_implicit_water12.1
completed, but no Step nor Loop in the output
✓ passedPACKAGES/machdyn/aluminum_strip_pull/in.aluminum_strip_pull1.1
✗ failedPACKAGES/machdyn/fluid_structure_interaction/in.fluid_structure_interaction13.8
completed, 1 abs diff and 1 rel diff checks failed
differs from step 4000 on (output row 40)
✗ failedPACKAGES/machdyn/funnel_flow/in.funnel_flow19.8
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_3d8.1
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_pull1.5
✗ failedPACKAGES/manybody_table/in.spce1.4
completed, 3 abs diff and 3 rel diff checks failed
differs from step 400 on (output row 4)
✗ failedPACKAGES/manybody_table/in.spce21.3
completed, 3 abs diff and 3 rel diff checks failed
differs from step 400 on (output row 4)
✗ failedPACKAGES/manybody_table/in.spce_sw1.7
completed, 1 abs diff and 0 rel diff checks failed
differs from step 1000 on (output row 10)
✓ passedPACKAGES/meam_spline/in.meam-spline.Si0.8
✓ passedPACKAGES/meam_spline/in.meam-spline.TiO214.3
✓ passedPACKAGES/meam_sw_spline/Si/in.bcc0.4
✗ failedPACKAGES/meam_sw_spline/Si/in.bcc_relax0.4
failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passedPACKAGES/meam_sw_spline/Si/in.dc0.4
✗ failedPACKAGES/meam_sw_spline/Si/in.dc_relax1.4
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.sw5.0
✓ passedPACKAGES/meam_sw_spline/Si/in.fcc0.4
✗ failedPACKAGES/meam_sw_spline/Si/in.fcc_relax0.6
failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failedPACKAGES/meam_sw_spline/Si/in.hcp_relax1.2
failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passedPACKAGES/meam_sw_spline/Si/in.sc0.4
✓ passedPACKAGES/meam_sw_spline/Si/in.sc_relax0.7
✓ passedPACKAGES/meam_sw_spline/Si/in.single_atom0.4
✓ passedPACKAGES/meam_sw_spline/Ti/in.alpha0.4
✗ failedPACKAGES/meam_sw_spline/Ti/in.alpha_relaxation0.7
failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passedPACKAGES/meam_sw_spline/Ti/in.beta0.4
✗ failedPACKAGES/meam_sw_spline/Ti/in.energy_conservation.meam.sw29.8
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.hexagonal0.5
✓ passedPACKAGES/meam_sw_spline/Ti/in.omega0.5
✓ passedPACKAGES/meam_sw_spline/Ti/in.single_atom0.4
✓ passedPACKAGES/mgpt/in.bcc00.5
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.bcc0.g++.4, which was written with 4 MPI processes instead of 2
✓ passedPACKAGES/mgpt/in.vac0-bcc0.6
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.vac0-bcc.g++.4, which was written with 4 MPI processes instead of 2
✓ passedPACKAGES/mgpt/in.vacmin-bcc2.6
✓ passedPACKAGES/mofff/in.hkust10.5
✓ passedPACKAGES/mofff/in.hkust1_long0.5
✓ passedPACKAGES/momb/in.system5.5
✓ passedPACKAGES/moments/in.converge4.9
✓ passedPACKAGES/moments/in.simple5.9
✓ passedPACKAGES/moments/in.valtest0.5
◉ runtestPACKAGES/momentum/in.momentum0.6
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_center21.4
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 2)
✗ failedPACKAGES/neighbor-swap/in.KMC_pulse_edge21.8
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 2)
✓ passedPACKAGES/orient_eco/in.orient_eco28.9
✓ passedPACKAGES/pace/compute/in.compute0.5
✓ passedPACKAGES/pace/in.pace.product3.9
✓ passedPACKAGES/pace/in.pace.recursive2.9
✗ failedPACKAGES/pafi/in.pafi1.6
completed, 2 abs diff and 2 rel diff checks failed
differs from step 1100 on (output row 15)
✗ failedPACKAGES/pedone/in.pedone.melt3.3
completed, 2 abs diff and 1 rel diff checks failed
differs from step 600 on (output row 6)
✗ failedPACKAGES/pedone/in.pedone.relax4.3
completed, 1 abs diff and 1 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
⚠ errorPACKAGES/phonon/2-1D-diatomic/in.Ana9.3
failed, ERROR on proc 0: Bond atoms 33 34 missing on proc 0 at step 595843
○ 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.graphene0.4
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/phonon/dynamical_matrix_command/Silicon/in.silicon0.4
completed, but no Step nor Loop in the output
○ 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.fitpod0.5
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.ptm0.5
✗ failedPACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst12.4
completed, 5 abs diff and 5 rel diff checks failed
differs in the very first thermo output
✗ failedPACKAGES/qtb/alpha_quartz_qtb/in.alpha_quartz_qtb4.4
completed, 3 abs diff and 3 rel diff checks failed
differs from step 500 on (output row 1)
✗ failedPACKAGES/qtb/methane_qbmsst/in.methane_qbmsst27.8
completed, 5 abs diff and 5 rel diff checks failed
differs from step 20 on (output row 1)
✗ failedPACKAGES/qtb/methane_qtb/in.methane_qtb4.4
completed, 3 abs diff and 3 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.30Nov23.methane_qtb.g++.4, which was written with 4 MPI processes instead of 2
✓ passedPACKAGES/quip/in.gap1.3
✓ passedPACKAGES/quip/in.molecular0.5
✓ passedPACKAGES/quip/in.sw1.0
✗ failedPACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene3.0
completed, 2 abs diff and 2 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedPACKAGES/reaction/nylon,6-6_melt/in.large_nylon_melt16.5
completed, 2 abs diff and 2 rel diff checks failed
differs from step 50 on (output row 1)
✓ passedPACKAGES/reaction/tiny_epoxy/in.tiny_epoxy.stabilized0.7
✗ failedPACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized2.9
completed, 2 abs diff and 2 rel diff checks failed
differs from step 1150 on (output row 23)
✗ failedPACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized_variable_probability0.7
completed, 2 abs diff and 2 rel diff checks failed
differs from step 50 on (output row 1)
✓ passedPACKAGES/reaction/tiny_nylon/in.tiny_nylon.unstabilized0.6
✗ failedPACKAGES/reaction/tiny_nylon_json/in.tiny_nylon.stabilized1.9
completed, 2 abs diff and 2 rel diff checks failed
differs from step 1150 on (output row 23)
✗ failedPACKAGES/reaction/tiny_nylon_wildcards/in.tiny_nylon.stabilized1.9
completed, 2 abs diff and 2 rel diff checks failed
differs from step 1150 on (output row 23)
(last OK: 2026-08-22T09-41-16Z_320a38e835)
✗ failedPACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized8.3
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.real12.2
✓ passedPACKAGES/relres/in.22DMH.relres2.5
✓ passedPACKAGES/relres/in.22DMH.respa1.7
✗ failedPACKAGES/rhok/in.crystal5.9
completed, 2 abs diff and 2 rel diff checks failed
differs from step 2050 on (output row 41)
✗ failedPACKAGES/rhok/in.pinning5.9
completed, 2 abs diff and 2 rel diff checks failed
differs from step 1300 on (output row 26)
✗ failedPACKAGES/rhok/in.setup5.2
completed, 2 abs diff and 2 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedPACKAGES/shock/hugoniostat/in.hugoniostat2.9
completed, 2 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 4)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.08Feb21.hugoniostat.g++.4, which was written with 4 MPI processes instead of 2
✗ failedPACKAGES/shock/msst/in.msst1.7
completed, 5 abs diff and 5 rel diff checks failed
differs from step 10 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.08Feb21.msst.g++.4, which was written with 4 MPI processes instead of 2
✗ failedPACKAGES/shock/nemd/in.nemd10.5
completed, 14 abs diff and 14 rel diff checks failed
differs from step 1000 on (output row 2)
◉ runtestPACKAGES/slater/in.slater5.5
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/sna_nnn_slcsa/in.slcsa13.1
completed, error parsing log.slcsa.2 into YAML
✗ failedPACKAGES/srp/in.srp2.6
completed, 3 abs diff and 3 rel diff checks failed
differs in the very first thermo output
✗ failedPACKAGES/srp_react/in.srp_react24.0
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
✓ passedPACKAGES/stressprofile/in.cylinder1.8
✓ passedPACKAGES/stressprofile/in.flat1.0
✓ passedPACKAGES/stressprofile/in.sphere0.9
✓ passedPACKAGES/tally/in.force1.1
✓ passedPACKAGES/tally/in.pe1.5
✗ failedPACKAGES/tally/in.stress1.2
failed, thermo checks skipped due to mismatched number of steps in the log files
◉ runtestPACKAGES/ti/in.ti_spring0.5
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/tmd/in.tmd1.4
completed, error parsing log.tmd.2 into YAML
✓ passedPACKAGES/tracker/in.track0.6
✓ passedPACKAGES/uef/npt_biaxial/in.npt_biaxial1.4
✓ passedPACKAGES/uef/nvt_uniaxial/in.nvt_uniaxial1.6
✓ passedPACKAGES/uf3/in.uf3.Nb0.5
◉ 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.vtp0.5
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/yaff/mil53al/in.mil53a3.7
completed, error parsing log.mil53a.2 into YAML
◉ runtestPACKAGES/yaff/mof5/in.mof51.3
completed, error parsing log.mof5.2 into YAML
✓ passedSPIN/bfo/in.spin.bfo3.2
✗ failedSPIN/cobalt_fcc/in.spin.cobalt_fcc1.7
completed, 2 abs diff and 2 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.cobalt_fcc.g++.4, which was written with 4 MPI processes instead of 2
✗ failedSPIN/cobalt_hcp/in.spin.cobalt_hcp2.5
completed, 4 abs diff and 3 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.cobalt_hcp.g++.4, which was written with 4 MPI processes instead of 2
✗ failedSPIN/dipole_spin/in.spin.iron_dipole_cut2.9
completed, 1 abs diff and 1 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.iron_dipole_cut.g++.4, which was written with 4 MPI processes instead of 2
✗ failedSPIN/dipole_spin/in.spin.iron_dipole_ewald4.4
completed, 1 abs diff and 1 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.iron_dipole_ewald.g++.4, which was written with 4 MPI processes instead of 2
✗ failedSPIN/dipole_spin/in.spin.iron_dipole_pppm5.4
completed, 1 abs diff and 1 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.iron_dipole_pppm.g++.4, which was written with 4 MPI processes instead of 2
○ 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")
✗ failedSPIN/iron/in.spin.iron1.9
completed, 3 abs diff and 3 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.iron.g++.4, which was written with 4 MPI processes instead of 2
✗ failedSPIN/iron/in.spin.iron_cubic1.2
completed, 1 abs diff and 1 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.iron_cubic.g++.4, which was written with 4 MPI processes instead of 2
✗ failedSPIN/nickel/in.spin.nickel2.4
completed, 2 abs diff and 2 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.nickel.g++.4, which was written with 4 MPI processes instead of 2
✗ failedSPIN/nickel/in.spin.nickel_cubic1.6
completed, 2 abs diff and 2 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.nickel_cubic.g++.4, which was written with 4 MPI processes instead of 2
✓ passedSPIN/read_restart/in.spin.read_data1.9
✓ passedSPIN/read_restart/in.spin.restart0.8
✗ failedSPIN/read_restart/in.spin.write_restart1.1
completed, 2 abs diff and 2 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedSPIN/setforce_spin/in.spin.setforce0.5
completed, 2 abs diff and 2 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedSPIN/spinmin/in.spin.bfo_min2.6
completed, 1 abs diff and 1 rel diff checks failed
differs from step 50 on (output row 1)
✗ failedSPIN/spinmin/in.spin.bfo_min_cg2.8
completed, 1 abs diff and 1 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedSPIN/spinmin/in.spin.bfo_min_lbfgs0.7
failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failedSPIN/spinmin/in.spin.iron_min0.6
completed, 1 abs diff and 1 rel diff checks failed
differs from step 100 on (output row 1)
○ 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.lj0.4
✓ passedUNITS/in.ar.metal0.4
✓ passedUNITS/in.ar.real0.4
✓ passedairebo/in.airebo13.3
✓ passedairebo/in.airebo-0-01.9
✓ passedairebo/in.airebo-bc13.0
✓ passedairebo/in.airebo-m14.2
✓ passedairebo/in.rebo21.9
✓ passedamoeba/in.ubiquitin5.1
✓ passedamoeba/in.water_box.amoeba4.6
✓ passedamoeba/in.water_box.hippo3.0
✓ passedamoeba/in.water_dimer.amoeba0.4
✓ passedamoeba/in.water_dimer.hippo0.5
✓ passedamoeba/in.water_hexamer.amoeba0.5
✓ passedamoeba/in.water_hexamer.hippo0.5
✓ passedatm/in.atm3.2
✗ failedbalance/in.balance0.7
completed, 2 abs diff and 2 rel diff checks failed
differs from step 6000 on (output row 60)
✗ failedbalance/in.balance.bond.fast0.7
completed, 2 abs diff and 2 rel diff checks failed
differs from step 2400 on (output row 24)
✓ passedbalance/in.balance.bond.slow1.4
✗ failedbalance/in.balance.clock.dynamic4.1
completed, 11 abs diff and 12 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.clock.dynamic.g++.4, which was written with 4 MPI processes instead of 2
✗ failedbalance/in.balance.clock.static1.8
completed, 9 abs diff and 9 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.clock.static.g++.4, which was written with 4 MPI processes instead of 2
✗ failedbalance/in.balance.group.dynamic0.8
completed, 3 abs diff and 3 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.group.dynamic.g++.4, which was written with 4 MPI processes instead of 2
✗ failedbalance/in.balance.group.static0.9
completed, 3 abs diff and 3 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.group.static.g++.4, which was written with 4 MPI processes instead of 2
✗ failedbalance/in.balance.kspace2.3
completed, 3 abs diff and 3 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.kspace.g++.4, which was written with 4 MPI processes instead of 2
✗ failedbalance/in.balance.neigh.dynamic3.6
completed, 11 abs diff and 12 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.neigh.dynamic.g++.4, which was written with 4 MPI processes instead of 2
✗ failedbalance/in.balance.neigh.rcb1.3
completed, 6 abs diff and 6 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.neigh.rcb.g++.4, which was written with 4 MPI processes instead of 2
✗ failedbalance/in.balance.neigh.static2.6
completed, 14 abs diff and 15 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.neigh.static.g++.4, which was written with 4 MPI processes instead of 2
✗ failedbalance/in.balance.var.dynamic5.0
completed, 11 abs diff and 12 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.var.dynamic.g++.4, which was written with 4 MPI processes instead of 2
✗ failedbody/in.body0.9
completed, 3 abs diff and 3 rel diff checks failed
differs from step 200 on (output row 2)
✗ failedbody/in.cubes7.2
completed, 2 abs diff and 2 rel diff checks failed
differs from step 1000 on (output row 1)
✓ passedbody/in.pour3d0.8
✗ failedbody/in.squares4.2
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 1)
✗ failedbody/in.wall2d2.5
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 1)
✗ failedbpm/impact/in.bpm.impact.rotational20.0
completed, 1 abs diff and 1 rel diff checks failed
differs from step 100 on (output row 1)
(last OK: 2026-08-22T19-42-07Z_05d2e6cc98)
✗ failedbpm/impact/in.bpm.impact.spring5.2
completed, 0 abs diff and 1 rel diff checks failed
differs from step 4300 on (output row 43)
✓ passedbpm/metamaterial/in.bpm.metamaterial44.1
✓ passedbpm/peri/benchmark/in.bench.bpm.pmb1.2
✓ passedbpm/peri/benchmark/in.bench.legacy.pmb1.4
✓ passedbpm/peri/in.bpm.peri.eps11.3
✓ passedbpm/peri/in.bpm.peri.lps8.4
✓ passedbpm/peri/in.bpm.peri.pmb8.4
✓ passedbpm/peri/in.bpm.peri.ves10.5
✗ failedbpm/plasticity/in.bpm.plasticity57.5
completed, 0 abs diff and 1 rel diff checks failed
differs from step 1200 on (output row 12)
✗ failedbpm/poissons_ratio/in.bpm.poissons_ratio22.0
completed, 1 abs diff and 2 rel diff checks failed
differs from step 1700 on (output row 17)
◴ timeoutbpm/pour/in.bpm.pour240.0
failed, no Total wall time in the output, timeout (240s expired)
the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
✓ passedbpm/wires/in.bpm.wires7.6
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.16Apr2026.bpm.wires.g++.4, which was written with 4 MPI processes instead of 2
✓ passedcharmmfsw/in.charmmfsw4.2
✗ failedcmap/in.cmap2.5
completed, 1 abs diff and 1 rel diff checks failed
differs from step 10000 on (output row 10)
✗ failedcolloid/in.colloid4.0
completed, 3 abs diff and 3 rel diff checks failed
differs from step 7000 on (output row 7)
✗ failedcomb/in.comb.Cu0.5
completed, 2 abs diff and 2 rel diff checks failed
differs from step 1 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.comb.Cu.g++.4, which was written with 4 MPI processes instead of 2
✓ passedcomb/in.comb.Cu2O.elastic4.5
✓ passedcomb/in.comb.HfO21.5
✗ failedcomb/in.comb.Si0.5
completed, 2 abs diff and 2 rel diff checks failed
differs from step 1 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.comb.Si.g++.4, which was written with 4 MPI processes instead of 2
✓ passedcomb/in.comb.Si.elastic0.6
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.comb.Si.elastic.g++.4, which was written with 4 MPI processes instead of 2
○ skippedcomb/in.comb30.0
skipped as specified in the test configuration
✗ failedcontroller/in.controller.temp2.6
completed, 6 abs diff and 6 rel diff checks failed
differs from step 50 on (output row 1)
✗ failedcontroller/in.controller.wall5.8
completed, 2 abs diff and 2 rel diff checks failed
differs from step 1500 on (output row 3)
✗ failedcoreshell/in.coreshell2.5
completed, 8 abs diff and 9 rel diff checks failed
differs from step 50 on (output row 1)
✗ failedcoreshell/in.coreshell.dsf4.4
completed, 10 abs diff and 10 rel diff checks failed
differs from step 50 on (output row 1)
✗ failedcoreshell/in.coreshell.thermostats3.7
completed, 13 abs diff and 14 rel diff checks failed
differs from step 50 on (output row 1)
✗ failedcoreshell/in.coreshell.wolf5.4
completed, 10 abs diff and 10 rel diff checks failed
differs from step 50 on (output row 1)
✓ passedcrack/in.crack1.5
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.crack.g++.4, which was written with 4 MPI processes instead of 2
✗ faileddeposit/in.deposit.atom1.9
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
✗ faileddeposit/in.deposit.molecule2.2
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
✗ faileddeposit/in.deposit.molecule.rigid-nve-small3.1
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
✗ faileddeposit/in.deposit.molecule.rigid-nvt-small2.4
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
✗ faileddeposit/in.deposit.molecule.rigid-small3.0
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
✗ faileddeposit/in.deposit.molecule.shake2.3
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
✗ faileddipole/in.charge_dipole9.6
completed, 3 abs diff and 3 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.26Jun26.charge_dipole.g++.4, which was written with 4 MPI processes instead of 2
✗ faileddipole/in.dipole0.7
completed, 3 abs diff and 3 rel diff checks failed
differs from step 2000 on (output row 4)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.dipole.g++.4, which was written with 4 MPI processes instead of 2
◉ runtestdreiding/in.dreiding0.6
completed, error parsing log.dreiding.2 into YAML
✓ passedeim/in.eim1.0
✗ failedellipse/in.ellipse.gayberne0.9
completed, 2 abs diff and 2 rel diff checks failed
differs from step 2600 on (output row 27)
✓ passedellipse/in.ellipse.resquared1.1
✗ failedfire/in.abcfire0.6
failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failedfire/in.abcfire_mod0.6
failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failedfire/in.cg0.6
failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failedfire/in.fire0.6
failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failedfire/in.fire_mod0.6
failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passedfire/in.meam.abcfire18.4
✓ passedfire/in.meam.fire24.8
✗ failedflow/in.flow.couette0.7
completed, 2 abs diff and 2 rel diff checks failed
differs from step 2500 on (output row 5)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.flow.couette.g++.4, which was written with 4 MPI processes instead of 2
✗ failedflow/in.flow.pois0.8
completed, 2 abs diff and 2 rel diff checks failed
differs from step 3500 on (output row 7)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.flow.pois.g++.4, which was written with 4 MPI processes instead of 2
✗ failedfriction/in.friction1.3
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.friction.g++.4, which was written with 4 MPI processes instead of 2
✗ failedgranregion/in.granregion.box1.0
completed, 7 abs diff and 10 rel diff checks failed
differs from step 400 on (output row 4)
✓ passedgranregion/in.granregion.funnel51.3
✓ passedgranregion/in.granregion.mixer16.4
✗ failedgransurf/in.line.gran.data0.7
completed, 2 abs diff and 2 rel diff checks failed
differs from step 2100 on (output row 21)
✗ failedgransurf/in.line.gran.global0.7
completed, 2 abs diff and 2 rel diff checks failed
differs from step 2600 on (output row 26)
✗ failedgransurf/in.line.gran.surf0.7
completed, 2 abs diff and 2 rel diff checks failed
differs from step 2100 on (output row 21)
✓ passedgransurf/in.screwfeeder.local57.6
✗ failedgransurf/in.tri.gran.data0.7
completed, 5 abs diff and 6 rel diff checks failed
differs from step 1900 on (output row 19)
✗ failedgransurf/in.tri.gran.global0.8
completed, 3 abs diff and 6 rel diff checks failed
differs from step 2200 on (output row 22)
✗ failedgransurf/in.tri.gran.global.stl0.7
completed, 3 abs diff and 6 rel diff checks failed
differs from step 2200 on (output row 22)
✗ failedgransurf/in.tri.gran.surf0.8
completed, 5 abs diff and 6 rel diff checks failed
differs from step 1900 on (output row 19)
✗ failedgransurf/in.tri.gran.surf.stl0.8
completed, 5 abs diff and 6 rel diff checks failed
differs from step 1900 on (output row 19)
✗ failedgransurf/in.tribox.gran.data2.8
completed, 8 abs diff and 10 rel diff checks failed
differs from step 2000 on (output row 20)
✗ failedgransurf/in.tribox.gran.global1.7
completed, 5 abs diff and 10 rel diff checks failed
differs from step 1700 on (output row 17)
✗ failedgransurf/in.tribox.gran.global.stl0.8
completed, 5 abs diff and 6 rel diff checks failed
differs from step 4100 on (output row 41)
✗ failedgransurf/in.tribox.gran.surf1.9
completed, 6 abs diff and 10 rel diff checks failed
differs from step 1800 on (output row 18)
✗ failedgransurf/in.tribox.gran.surf.stl1.8
completed, 10 abs diff and 10 rel diff checks failed
differs from step 3900 on (output row 39)
✓ passedgranular/in.pour.drum5.6
✓ passedgranular/in.pour.flatwall4.3
✓ passedgranular/in.pour.heat38.5
✓ passedgranular/in.restitution6.9
✓ passedgranular/in.sync_verlet2.5
✓ passedgranular/in.tableting.20011.1
✓ passedgranular/in.triaxial.compaction.121.5
✓ passedgrid/in.grid.2d0.4
✓ passedgrid/in.grid.3d0.7
✓ passedgrid/in.sph14.8
✗ failedindent/in.indent2.2
completed, 6 abs diff and 6 rel diff checks failed
differs from step 16000 on (output row 16)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.indent.g++.4, which was written with 4 MPI processes instead of 2
✗ failedindent/in.indent.min0.5
failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passedkim/in.lammps.melt0.9
✗ failedmc/in.gcmc.co215.7
completed, 3 abs diff and 3 rel diff checks failed
differs in the very first thermo output
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.30Mar26.gcmc.co2.g++.4, which was written with 4 MPI processes instead of 2
✗ failedmc/in.gcmc.h2o53.0
completed, 6 abs diff and 6 rel diff checks failed
differs in the very first thermo output
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.30Mar26.gcmc.h2o.g++.4, which was written with 4 MPI processes instead of 2
✗ failedmc/in.gcmc.lj12.9
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 1)
✗ failedmc/in.gcmc.region2.7
completed, 1 abs diff and 1 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedmc/in.gcmc.restart5.9
completed, 18 abs diff and 18 rel diff checks failed
differs from step 100 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.30Mar26.gcmc.restart.g++.4, which was written with 4 MPI processes instead of 2
○ skippedmc/in.gemc.lj0.0
skipped, needs a multi-partition run ("partition")
✗ failedmc/in.hmc.flexible.melt5.9
completed, 4 abs diff and 5 rel diff checks failed
differs from step 850 on (output row 17)
✗ failedmc/in.hmc.rigid7.6
completed, 6 abs diff and 6 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedmc/in.mixed15.7
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 1)
✗ failedmc/in.pure15.1
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 1)
✗ failedmc/in.sgcmc.eam12.8
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedmc/in.widom.lj2.5
completed, 4 abs diff and 4 rel diff checks failed
differs from step 10 on (output row 1)
○ skippedmc/in.widom.spce0.0
skipped as specified in the test configuration
✓ passedmeam/in.meam0.5
✗ failedmeam/in.meam.shear12.7
completed, 5 abs diff and 5 rel diff checks failed
differs from step 25 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.meam.shear.g++.4, which was written with 4 MPI processes instead of 2
✓ passedmeam/msmeam/in.msmeam0.5
✓ passedmelt/in.melt0.6
✗ failedmesh/in.marble_race45.0
completed, 5 abs diff and 5 rel diff checks failed
differs in the very first thermo output
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11May22.marble_race.g++.4, which was written with 4 MPI processes instead of 2
✗ failedmesh/in.mesh_box3.4
completed, 3 abs diff and 3 rel diff checks failed
differs from step 200 on (output row 2)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11May22.mesh_box.g++.4, which was written with 4 MPI processes instead of 2
✗ failedmicelle/in.micelle0.5
completed, 0 abs diff and 1 rel diff checks failed
differs from step 850 on (output row 38)
✓ passedmicelle/in.micelle-rigid0.5
✗ failedmin/in.min0.6
failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failedmin/in.min.box2.5
failed, thermo checks skipped due to mismatched number of steps in the log files
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.min.box.g++.4, which was written with 4 MPI processes instead of 2
◉ runtestmliap/in.mliap.ace.compute0.6
completed, but no Step nor Loop in the output
✓ passedmliap/in.mliap.nn.Cu2.1
✓ passedmliap/in.mliap.nn.Ta06A0.9
○ 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.compute0.4
completed, but no Step nor Loop in the output
✓ passedmliap/in.mliap.snap.Ta06A1.2
✓ passedmliap/in.mliap.snap.WBe.PRB20191.5
✓ passedmliap/in.mliap.snap.chem6.4
◉ runtestmliap/in.mliap.snap.compute0.4
completed, but no Step nor Loop in the output
✓ passedmliap/in.mliap.snap.quadratic1.1
◉ runtestmliap/in.mliap.so3.Ni_Mo0.4
completed, but no Step nor Loop in the output
✓ passedmliap/in.mliap.so3.nn.Si1.6
○ skippedmliap/in.mliap.unified.lj.Ar0.0
skipped as specified in the test configuration
✗ failedmulti/in.colloid0.6
failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failedmulti/in.granular1.1
failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failedmulti/in.powerlaw1.5
failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passednb3b/in.nb3b1.4
✗ failednb3b/in.nb3b.screened9.3
completed, 3 abs diff and 3 rel diff checks failed
differs from step 700 on (output row 7)
✓ passednemd/in.nemd0.5
✗ failednumdiff/in.numdiff0.6
completed, 3 abs diff and 3 rel diff checks failed
differs from step 10 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.19Feb2022.numdiff.g++.4, which was written with 4 MPI processes instead of 2
(last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failedobstacle/in.obstacle1.4
completed, 2 abs diff and 2 rel diff checks failed
differs in the very first thermo output
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.obstacle.g++.4, which was written with 4 MPI processes instead of 2
◉ runtestpeptide/in.peptide1.3
completed, error parsing log.peptide.2 into YAML
✗ failedperi/in.peri-pmb3.7
completed, 2 abs diff and 0 rel diff checks failed
differs from step 1000 on (output row 10)
(last OK: 2026-08-24T02-40-35Z_f9a871876d)
✓ passedperi/in.peri.eps9.3
✗ failedperi/in.peri.lps3.8
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedperi/in.peri.pmb3.7
completed, 2 abs diff and 0 rel diff checks failed
differs from step 1000 on (output row 10)
✗ failedperi/in.peri.ves9.9
completed, 1 abs diff and 0 rel diff checks failed
differs from step 900 on (output row 9)
✓ passedpour/in.pour8.4
✓ passedpour/in.pour.2d1.4
✓ passedpour/in.pour.2d.molecule1.6
✗ failedpython/in.fix_python_invoke0.6
completed, 3 abs diff and 3 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.fix_python_invoke.g++.4, which was written with 4 MPI processes instead of 2
⚠ errorpython/in.fix_python_invoke_neighlist0.6
failed, ERROR: lammps_find_pair_neighlist(): Pair style lj/cut does not exist (src/library.cpp:6377)
✓ passedpython/in.fix_python_move_nve_melt2.7
✓ passedpython/in.fix_python_move_nve_melt_group1.9
✓ passedpython/in.fix_python_move_nve_melt_opt0.7
✓ passedpython/in.pair_python_coulomb1.2
✗ failedpython/in.pair_python_harmonic13.1
completed, 12 abs diff and 12 rel diff checks failed
differs in the very first thermo output
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Mar22.pair_python_harmonic.g++.4, which was written with 4 MPI processes instead of 2
✗ failedpython/in.pair_python_hybrid4.6
completed, 8 abs diff and 9 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.pair_python_hybrid.g++.4, which was written with 4 MPI processes instead of 2
✓ passedpython/in.pair_python_long1.4
✗ failedpython/in.pair_python_melt9.1
completed, 8 abs diff and 9 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.pair_python_melt.g++.4, which was written with 4 MPI processes instead of 2
✓ passedpython/in.pair_python_spce3.4
✗ failedpython/in.pair_python_table0.6
completed, 3 abs diff and 3 rel diff checks failed
differs from step 50 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.pair_python_table.g++.4, which was written with 4 MPI processes instead of 2
✓ passedpython/in.python0.5
✓ passedpython/in.python.wrap0.4
✗ failedqeq/in.qeq.buck5.4
completed, 1 abs diff and 0 rel diff checks failed
differs from step 0 on (output row 45)
✓ passedqeq/in.qeq.reaxff0.4
✗ failedrdf-adf/in.spce19.4
completed, 6 abs diff and 5 rel diff checks failed
differs from step 300 on (output row 3)
✗ failedrdf-adf/in.spce.hbond16.3
completed, 5 abs diff and 4 rel diff checks failed
differs from step 300 on (output row 3)
✗ 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.AuO2.8
completed, 2 abs diff and 1 rel diff checks failed
differs in the very first thermo output
✗ failedreaxff/CHO/in.CHO2.6
completed, 3 abs diff and 2 rel diff checks failed
differs in the very first thermo output
✓ passedreaxff/FC/in.FC4.5
✗ failedreaxff/FeOH3/in.FeOH33.2
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedreaxff/HNS/in.reaxff.hns6.2
completed, 1 abs diff and 1 rel diff checks failed
differs from step 10 on (output row 1)
✗ failedreaxff/RDX/in.RDX4.2
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedreaxff/VOH/in.VOH1.5
completed, 3 abs diff and 2 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedreaxff/ZnOH2/in.ZnOH21.4
completed, 2 abs diff and 1 rel diff checks failed
differs from step 100 on (output row 1)
✓ passedreaxff/ci-reaxFF/in.ci-reax.CH6.7
✗ failedreaxff/in.reaxff.rdx0.6
completed, 3 abs diff and 1 rel diff checks failed
differs from step 10 on (output row 1)
✗ failedreaxff/in.reaxff.rdx-shielded0.5
completed, 3 abs diff and 2 rel diff checks failed
differs in the very first thermo output
✗ failedreaxff/in.reaxff.tatb1.3
completed, 1 abs diff and 0 rel diff checks failed
differs in the very first thermo output
✗ failedreaxff/in.reaxff.tatb-shielded1.4
completed, 1 abs diff and 2 rel diff checks failed
differs in the very first thermo output
○ skippedreaxff/water/in.water.acks20.0
skipped as specified in the test configuration
○ skippedreaxff/water/in.water.acks2.field0.0
skipped as specified in the test configuration
✓ passedreaxff/water/in.water.qeq2.4
✓ passedreaxff/water/in.water.qeq.field2.2
✓ passedreaxff/water/in.water.qeqr2.6
✓ passedreaxff/water/in.water.qeqr.field2.9
✓ passedreaxff/water/in.water.qtpie3.1
✓ passedreaxff/water/in.water.qtpie.field3.1
✗ failedreplicate/in.replicate.bond.x0.7
completed, 3 abs diff and 3 rel diff checks failed
differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
✗ failedreplicate/in.replicate.bond.x.noloop0.7
completed, 3 abs diff and 3 rel diff checks failed
differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
✓ passedreplicate/in.replicate.bond.x.y0.8
✓ passedreplicate/in.replicate.bond.xy0.8
✓ passedreplicate/in.replicate.cnt1.9
✗ failedrheo/balloon/in.rheo.balloon127.4
completed, 0 abs diff and 1 rel diff checks failed
differs from step 2400 on (output row 12)
the run needs 127 s: a production sized run that should be shortened in the repository
(last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failedrheo/dam-break/in.rheo.dam.break73.2
completed, 0 abs diff and 1 rel diff checks failed
differs in the very first thermo output
the run needs 73 s: a production sized run that should be shortened in the repository
(last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failedrheo/ice-cubes/in.rheo.ice.cubes189.3
completed, 0 abs diff and 1 rel diff checks failed
differs from step 200 on (output row 1)
the run needs 189 s: a production sized run that should be shortened in the repository
(last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failedrheo/oxidation/in.rheo.oxidation206.7
completed, 0 abs diff and 1 rel diff checks failed
differs from step 200 on (output row 1)
the run needs 207 s: a production sized run that should be shortened in the repository
(last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failedrheo/poiseuille/in.rheo.poiseuille12.8
completed, 0 abs diff and 1 rel diff checks failed
differs from step 200 on (output row 1)
(last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failedrheo/taylor-green/in.rheo.taylor.green42.2
completed, 0 abs diff and 1 rel diff checks failed
differs in the very first thermo output
(last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✓ passedrigid/in.rigid0.8
✓ passedrigid/in.rigid.atomfile0.6
✓ passedrigid/in.rigid.atomvar0.6
✓ passedrigid/in.rigid.cubes0.8
✗ failedrigid/in.rigid.cubes.gravity0.6
completed, 3 abs diff and 3 rel diff checks failed
differs in the very first thermo output
(last OK: 2026-09-11T22-15-12Z_635728167b)
✗ failedrigid/in.rigid.cubes.langevin0.7
completed, 3 abs diff and 3 rel diff checks failed
differs from step 200 on (output row 1)
✓ passedrigid/in.rigid.cubes.multirun0.7
✗ failedrigid/in.rigid.cubes.nph0.7
completed, 0 abs diff and 4 rel diff checks failed
differs from step 600 on (output row 3)
✗ failedrigid/in.rigid.cubes.npt0.7
completed, 0 abs diff and 4 rel diff checks failed
differs from step 600 on (output row 3)
✓ passedrigid/in.rigid.cubes.nve0.6
✓ passedrigid/in.rigid.cubes.nvt0.7
✓ passedrigid/in.rigid.cubes.partial0.6
✓ passedrigid/in.rigid.cubes.tri0.7
✗ failedrigid/in.rigid.dipoles0.5
completed, 1 abs diff and 1 rel diff checks failed
differs in the very first thermo output
✓ passedrigid/in.rigid.early0.8
✓ passedrigid/in.rigid.ellipsoids0.5
✓ passedrigid/in.rigid.gravity2.0
✓ passedrigid/in.rigid.infile0.8
✓ passedrigid/in.rigid.molecule0.6
✓ passedrigid/in.rigid.nve1.1
✓ passedrigid/in.rigid.nve.early0.7
✓ passedrigid/in.rigid.property0.8
✓ passedrigid/in.rigid.small0.7
✓ passedrigid/in.rigid.small.infile1.0
✗ failedrigid/in.rigid.spheres0.6
completed, 1 abs diff and 1 rel diff checks failed
differs in the very first thermo output
✗ failedrigid/in.rigid.tnr6.2
completed, 28 abs diff and 28 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedshear/in.shear1.2
completed, 5 abs diff and 5 rel diff checks failed
differs from step 25 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.shear.g++.4, which was written with 4 MPI processes instead of 2
✗ failedshear/in.shear.void1.0
completed, 5 abs diff and 4 rel diff checks failed
differs from step 25 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.shear.void.g++.4, which was written with 4 MPI processes instead of 2
✗ failedsnap/in.C_SNAP14.0
completed, 4 abs diff and 4 rel diff checks failed
differs from step 50 on (output row 1)
✓ passedsnap/in.gaussian.grid0.4
✓ passedsnap/in.snap.InP.JCPA20207.6
✓ passedsnap/in.snap.Mo_Chen0.9
✓ passedsnap/in.snap.Ta06A0.8
✓ passedsnap/in.snap.W.29401.5
✓ passedsnap/in.snap.WBe.PRB20191.5
◉ runtestsnap/in.snap.compute0.4
completed, but no Step nor Loop in the output
◉ runtestsnap/in.snap.compute.quadratic0.5
completed, but no Step nor Loop in the output
✓ passedsnap/in.snap.grid0.5
✓ passedsnap/in.snap.grid.triclinic0.5
✓ passedsnap/in.snap.hybrid.WSNAP.HePair1.6
✓ passedsnap/in.snap.scale.Ni_Zuo_JCPA20201.9
✗ failedsrd/in.srd.mixture1.2
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 3)
✗ failedsrd/in.srd.pure2.0
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
✓ passedsteinhardt/in.bcc0.4
✓ passedsteinhardt/in.fcc0.5
✗ failedsteinhardt/in.icos1.1
failed, thermo checks skipped due to mismatched number of steps in the log files
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Sept18.icos.g++.4, which was written with 4 MPI processes instead of 2
✓ passedstreitz/in.ctip60.3
the run needs 60 s: a production sized run that should be shortened in the repository
◉ runteststreitz/in.gan0.7
completed, numerical checks skipped due to missing the reference log file
✗ failedstreitz/in.streitz.ewald15.1
completed, 1 abs diff and 1 rel diff checks failed
differs in the very first thermo output
✗ failedstreitz/in.streitz.wolf18.4
failed, mismatched columns in the log files
✗ failedstress_vcm/in.stress_vcm5.3
completed, 7 abs diff and 7 rel diff checks failed
differs from step 100 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.19Nov24.stress_vcm.g++.4, which was written with 4 MPI processes instead of 2
○ skippedtemplate/in.hybrid0.0
skipped as specified in the test configuration
✗ failedtemplate/in.mol-data-mix4.0
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedtemplate/in.mol-restart-mix9.4
completed, 8 abs diff and 8 rel diff checks failed
differs in the very first thermo output
✗ failedtemplate/in.molecular-mix6.0
completed, 5 abs diff and 5 rel diff checks failed
differs in the very first thermo output
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.22Oct20.molecular-mix.g++.4, which was written with 4 MPI processes instead of 2
○ skippedtemplate/in.template-mix0.0
skipped as specified in the test configuration
○ skippedtemplate/in.tmpl-data-mix0.0
skipped as specified in the test configuration
○ skippedtemplate/in.tmpl-restart-mix0.0
skipped as specified in the test configuration
✓ passedtersoff/in.hBN_shift0.6
✓ passedtersoff/in.tersoff0.6
✓ passedthreebody/in.mos2-bulk0.5
✓ passedthreebody/in.mos2.rebomos3.9
✓ passedthreebody/in.mos2.sw.mod0.8
✓ passedthreebody/in.threebody0.7
✓ passedtriclinic/in.bcc.orthog0.5
✓ passedtriclinic/in.bcc.primitive0.5
✓ passedtriclinic/in.data.general0.5
✓ passedtriclinic/in.fcc.orthog0.5
✓ passedtriclinic/in.fcc.primitive0.5
✓ passedtriclinic/in.hex.orthog0.4
✓ passedtriclinic/in.hex.primitive0.4
✓ passedtriclinic/in.sq2.orthog0.4
✓ passedtriclinic/in.sq2.primitive0.4
✗ failedttm/in.ttm4.6
completed, 2 abs diff and 2 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedttm/in.ttm.cascade7.0
completed, 2 abs diff and 2 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedttm/in.ttm.grid5.0
completed, 2 abs diff and 2 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedttm/in.ttm.mod1.9
completed, 2 abs diff and 2 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedttm/in.ttm.thermal5.1
completed, 2 abs diff and 2 rel diff checks failed
differs from step 100 on (output row 1)
✓ passedvashishta/in.vashishta.inp0.4
✓ passedvashishta/in.vashishta.sio20.6
✓ passedvashishta/in.vashishta.table.inp0.5
✓ passedvashishta/in.vashishta.table.sio20.5
✓ passedvoronoi/in.voronoi2.7
✓ passedvoronoi/in.voronoi.2d0.5
✓ passedvoronoi/in.voronoi.data0.4
✗ failedwall/in.wall.block1.3
completed, 4 abs diff and 4 rel diff checks failed
differs in the very first thermo output
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.23Aug2026.wall.block.g++.4, which was written with 4 MPI processes instead of 2
(last OK: 2026-08-23T21-16-18Z_647a06de81)
✗ failedwall/in.wall.ccl0.6
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.ccl.g++.4, which was written with 4 MPI processes instead of 2
✗ failedwall/in.wall.diffusive0.7
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.diffusive.g++.4, which was written with 4 MPI processes instead of 2
✗ failedwall/in.wall.flow1.7
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.wall.flow.g++.4, which was written with 4 MPI processes instead of 2
✗ failedwall/in.wall.harmonic.2d1.2
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.23Aug2026.wall.harmonic.2d.g++.4, which was written with 4 MPI processes instead of 2
(last OK: 2026-08-23T21-16-18Z_647a06de81)
✗ failedwall/in.wall.harmonic.outside.2d1.9
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.23Aug2026.wall.harmonic.outside.2d.g++.4, which was written with 4 MPI processes instead of 2
(last OK: 2026-08-23T21-16-18Z_647a06de81)
✓ passedwall/in.wall.lepton0.5
✗ failedwall/in.wall.maxwell0.9
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.maxwell.g++.4, which was written with 4 MPI processes instead of 2
✗ failedwall/in.wall.specular0.9
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 1)
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.specular.g++.4, which was written with 4 MPI processes instead of 2
✗ failedwall/in.wall.sphere1.5
completed, 4 abs diff and 4 rel diff checks failed
differs in the very first thermo output
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.23Aug2026.wall.sphere.g++.4, which was written with 4 MPI processes instead of 2
(last OK: 2026-08-23T21-16-18Z_647a06de81)
✓ passedwall/in.wall.table0.4
◉ runtestyaml/in.yaml1.1
completed, error parsing log.yaml.2 into YAML