Full Regression: serial — 2026-10-15T05-36-53Z_2b85e289b1

Configuration: 1 process · compared with the other configurations at this commit

696
Tests
484
Passed
79
Failed
0
Errors
1
Timeouts
108
Runtest
24
Skipped

1 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.

108 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 / Serial
sha2b85e289b1e1a95a5ee37534ede4ac1c3785b509
branchdevelop
versionpatch_30Sep2026-411-g2b85e289b1
generated2026-10-15T05:36:53Z
source_urlhttps://download.lammps.org/coverage/serial.json
operating_systemOS: Linux "Fedora Linux 44 (Forty Four)" 7.2.5-200.fc44.x86_64 x86_64
git_infoGit info (develop / patch_30Sep2026-411-g2b85e289b1)
compilerCompiler: GNU C++ 16.2.1 20260819 (Red Hat 16.2.1-2) with OpenMP 5.2
compile_flags-DLAMMPS_PNG -DLAMMPS_JPEG -DLAMMPS_CURL -DLAMMPS_SMALLBIG
config_fileconfig_serial.yaml
lmp_binary/home/akohlmey/compile/lammps-analyze/build-regression/lmp

Changes vs 2026-10-14T08-26-40Z_1b8520aa9c

8 fixed vs previous run

Fixed (8)

Needs a fix in the examples tree (100)

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 (81)
  • ASPHERE/line/in.line.srd
    the run needs 61 s: a production sized run that should be shortened in the repository
  • ASPHERE/tri/in.tri.srd
    the run needs 149 s: a production sized run that should be shortened in the repository
  • PACKAGES/addtorque_group/in.addtorque
    the run needs 69 s: a production sized run that should be shortened in the repository
  • PACKAGES/diffraction/in.BulkNi
    the run needs 160 s: a production sized run that should be shortened in the repository
  • PACKAGES/dpd-meso/edpd/in.edpd
    the run needs 105 s: a production sized run that should be shortened in the repository
  • PACKAGES/dpd-meso/edpd/in.edpd-region
    the run needs 106 s: a production sized run that should be shortened in the repository
  • PACKAGES/dpd-meso/mdpd/in.mdpd
    the run needs 110 s: a production sized run that should be shortened in the repository
  • PACKAGES/dpd-meso/tdpd/in.tdpd
    the run needs 91 s: a production sized run that should be shortened in the repository
  • PACKAGES/dpd-meso/tdpd/in.tdpd-region
    the run needs 84 s: a production sized run that should be shortened in the repository
  • PACKAGES/drude/butane/in.butane.lang
    the run needs 65 s: a production sized run that should be shortened in the repository
  • PACKAGES/drude/butane/in.butane.nh
    the run needs 61 s: a production sized run that should be shortened in the repository
  • PACKAGES/drude/butane/in.butane.tgnh
    the run needs 60 s: a production sized run that should be shortened in the repository
  • PACKAGES/drude/ethanol/in.ethanol.tgnh
    the run needs 61 s: a production sized run that should be shortened in the repository
  • PACKAGES/drude/swm4-ndp/in.swm4-ndp.lang
    the run needs 88 s: a production sized run that should be shortened in the repository
  • PACKAGES/drude/swm4-ndp/in.swm4-ndp.nh
    the run needs 73 s: a production sized run that should be shortened in the repository
  • PACKAGES/drude/toluene/in.toluene.lang
    the run needs 87 s: a production sized run that should be shortened in the repository
  • PACKAGES/drude/toluene/in.toluene.nh
    the run needs 87 s: a production sized run that should be shortened in the repository
  • PACKAGES/eff/Auger-Adamantane/in.adamantane_ionized.nve
    the run needs 110 s: a production sized run that should be shortened in the repository
  • PACKAGES/eff/H_plasma/in.h2bulk.nve
    the run needs 97 s: a production sized run that should be shortened in the repository
  • PACKAGES/eff/H_plasma/in.h2bulk.nve.ang
    the run needs 104 s: a production sized run that should be shortened in the repository
  • PACKAGES/eff/Li-dendritic/in.Li-dendritic.nvt
    the run needs 91 s: a production sized run that should be shortened in the repository
  • PACKAGES/eff/Li-solid/in.Li.bohr
    the run needs 69 s: a production sized run that should be shortened in the repository
  • PACKAGES/electrode/graph-il/in.graph-il-conp
    the run needs 72 s: a production sized run that should be shortened in the repository
  • PACKAGES/electrode/graph-il/in.graph-il-conq
    the run needs 69 s: a production sized run that should be shortened in the repository
  • PACKAGES/electrode/graph-il/in.graph-il-conq2
    the run needs 71 s: a production sized run that should be shortened in the repository
  • PACKAGES/electrode/graph-il/in.graph-il-etypes
    the run needs 65 s: a production sized run that should be shortened in the repository
  • PACKAGES/electrode/graph-il/in.graph-il-ffield
    the run needs 66 s: a production sized run that should be shortened in the repository
  • PACKAGES/electrode/graph-il/in.graph-il-ramp
    the run needs 65 s: a production sized run that should be shortened in the repository
  • PACKAGES/electrode/graph-il/in.graph-il-thermo
    the run needs 68 s: a production sized run that should be shortened in the repository
  • PACKAGES/filter_corotate/in.respa
    the run needs 111 s: a production sized run that should be shortened in the repository
  • PACKAGES/hma/in.hma
    the run needs 91 s: a production sized run that should be shortened in the repository
  • PACKAGES/ilves/in.covid
    the run needs 120 s: a production sized run that should be shortened in the repository
  • PACKAGES/ilves/in.rhodo-allbonds
    the run needs 65 s: a production sized run that should be shortened in the repository
  • PACKAGES/ilves/in.rhodo-ilves
    the run needs 64 s: a production sized run that should be shortened in the repository
  • PACKAGES/ilves/in.rhodo-shake
    the run needs 64 s: a production sized run that should be shortened in the repository
  • PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene
    the run needs 90 s: a production sized run that should be shortened in the repository
  • PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBN
    the run needs 97 s: a production sized run that should be shortened in the repository
  • PACKAGES/interlayer/ilp_graphene_hbn/in.grhBN
    the run needs 91 s: a production sized run that should be shortened in the repository
  • PACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn
    the run needs 95 s: a production sized run that should be shortened in the repository
  • PACKAGES/interlayer/ilp_tmds/in.mos2
    the run needs 74 s: a production sized run that should be shortened in the repository
  • PACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphene
    the run needs 79 s: a production sized run that should be shortened in the repository
  • PACKAGES/interlayer/saip_metal_tmd/in.au_mos2
    the run needs 88 s: a production sized run that should be shortened in the repository
  • PACKAGES/latboltz/pit_geometry/in.pits
    the run needs 159 s: a production sized run that should be shortened in the repository
  • PACKAGES/local_density/methanol_implicit_water/in.methanol_implicit_water
    the run needs 79 s: a production sized run that should be shortened in the repository
  • PACKAGES/meam_spline/in.meam-spline.TiO2
    the run needs 101 s: a production sized run that should be shortened in the repository
  • PACKAGES/meam_sw_spline/Ti/in.energy_conservation.meam.sw
    the run needs 90 s: a production sized run that should be shortened in the repository
  • PACKAGES/neighbor-swap/in.KMC_pulse_center
    the run needs 69 s: a production sized run that should be shortened in the repository
  • PACKAGES/neighbor-swap/in.KMC_pulse_edge
    the run needs 70 s: a production sized run that should be shortened in the repository
  • PACKAGES/orient_eco/in.orient_eco
    the run needs 130 s: a production sized run that should be shortened in the repository
  • PACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst
    the run needs 63 s: a production sized run that should be shortened in the repository
  • ... and 31 more
reference log file matches no input (19)
  • PACKAGES/dpd-smooth/2d-diffusion-in-shear-flow/in.lammps
    no reference log file matches this input, while log.28Mar23.2d-diffusion-in-shear-flow.g++.1, log.28Mar23.2d-diffusion-in-shear-flow.g++.4 in this folder match no input script at all: check the names
  • PACKAGES/dpd-smooth/2d-diffusion/in.lammps
    no reference log file matches this input, while log.28Mar23.2d-diffusion.g++.1, log.28Mar23.2d-diffusion.g++.4 in this folder match no input script at all: check the names
  • PACKAGES/dpd-smooth/equipartition-verification/in.lammps
    no reference log file matches this input, while log.28Mar23.equipartition.g++.1, log.28Mar23.equipartition.g++.4 in this folder match no input script at all: check the names
  • PACKAGES/eff/H/in.h_atom.spe.bohr
    no reference log file matches this input, while log.h_atom.spe.ang.1 in this folder match no input script at all: check the names
  • PACKAGES/eff/fixed-core/CH4/in.CH4fc.bohr
    no reference log file matches this input, while log.CH4fc.ang.smoke.1, log.CH4fc.spe.ang.1 in this folder match no input script at all: check the names
  • PACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.bohr
    no reference log file matches this input, while log.CH4fc.ang.smoke.1, log.CH4fc.spe.ang.1 in this folder match no input script at all: check the names
  • balance/in.balance
    no reference log file matches this input, while log.balance.bond.slow.smoke.1, log.balance.clock.dynamic.smoke.1, log.balance.clock.static.smoke.1, ... in this folder match no input script at all: che ...
  • balance/in.balance.bond.fast
    no reference log file matches this input, while log.balance.bond.slow.smoke.1, log.balance.clock.dynamic.smoke.1, log.balance.clock.static.smoke.1, ... in this folder match no input script at all: che ...
  • balance/in.balance.bond.slow
    no reference log file matches this input, while log.balance.clock.dynamic.smoke.1, log.balance.clock.static.smoke.1, log.balance.group.dynamic.smoke.1, ... in this folder match no input script at all: ...
  • balance/in.balance.clock.dynamic
    no reference log file matches this input, while log.balance.neigh.static.smoke.1 in this folder match no input script at all: check the names
  • balance/in.balance.clock.static
    no reference log file matches this input, while log.balance.clock.dynamic.smoke.1, log.balance.kspace.smoke.1, log.balance.neigh.dynamic.smoke.1, ... in this folder match no input script at all: check ...
  • balance/in.balance.group.dynamic
    no reference log file matches this input, while log.balance.clock.dynamic.smoke.1, log.balance.clock.static.smoke.1, log.balance.kspace.smoke.1, ... in this folder match no input script at all: check ...
  • balance/in.balance.group.static
    no reference log file matches this input, while log.balance.clock.dynamic.smoke.1, log.balance.kspace.smoke.1, log.balance.neigh.dynamic.smoke.1, ... in this folder match no input script at all: check ...
  • balance/in.balance.kspace
    no reference log file matches this input, while log.balance.clock.dynamic.smoke.1, log.balance.neigh.static.smoke.1 in this folder match no input script at all: check the names
  • balance/in.balance.neigh.dynamic
    no reference log file matches this input, while log.balance.clock.dynamic.smoke.1, log.balance.neigh.static.smoke.1 in this folder match no input script at all: check the names
  • balance/in.balance.neigh.rcb
    no reference log file matches this input, while log.balance.clock.dynamic.smoke.1, log.balance.clock.static.smoke.1, log.balance.group.dynamic.smoke.1, ... in this folder match no input script at all: ...
  • balance/in.balance.var.dynamic
    no reference log file matches this input, while log.balance.clock.dynamic.smoke.1, log.balance.kspace.smoke.1, log.balance.neigh.dynamic.smoke.1, ... in this folder match no input script at all: check ...
  • mc/in.mixed
    no reference log file matches this input, while log.29Sep2026.gemc.lj.0.g++.5, log.29Sep2026.gemc.lj.1.g++.5, log.hmc.flexible.melt.1 in this folder match no input script at all: check the names
  • mc/in.pure
    no reference log file matches this input, while log.29Sep2026.gemc.lj.0.g++.5, log.29Sep2026.gemc.lj.1.g++.5, log.hmc.flexible.melt.1 in this folder match no input script at all: check the names

Worth investigating (18)

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 within the first 200 steps (18)

Differs after 200 to 1000 steps (17)
  • PACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long
    differs from step 500 on (output row 5)
  • PACKAGES/interlayer/aip_water_2dm/in.gr_water.opt
    differs from step 1000 on (output row 10)
  • 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 900 on (output row 9)
  • 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 1000 on (output row 2)
  • PACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene
    differs from step 500 on (output row 5)
  • PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized
    differs from step 550 on (output row 11)
  • PACKAGES/reaction/tiny_nylon_json/in.tiny_nylon.stabilized
    differs from step 550 on (output row 11)
  • PACKAGES/reaction/tiny_nylon_wildcards/in.tiny_nylon.stabilized
    differs from step 550 on (output row 11)
  • PACKAGES/shock/nemd/in.nemd
    differs from step 800 on (output row 12)
  • body/in.wall2d
    differs from step 1000 on (output row 1)
  • granregion/in.granregion.box
    differs from step 400 on (output row 4)
  • micelle/in.micelle
    differs from step 850 on (output row 38)
  • srd/in.srd.mixture
    differs from step 800 on (output row 10)
  • template/in.hybrid
    differs from step 400 on (output row 4)
Differs only after 1000 steps, consistent with chaos (14)
  • PACKAGES/gle/in.h2o-quantum
    differs from step 1500 on (output row 15)
  • PACKAGES/gle/in.h2o-smart
    differs from step 3300 on (output row 33)
  • 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
  • SPIN/test_problems/validation_nve/in.spin.iron-nve
    differs from step 6400 on (output row 32)
  • body/in.squares
    differs from step 11000 on (output row 11)
  • cmap/in.cmap
    differs from step 10000 on (output row 10)
  • colloid/in.colloid
    differs from step 6000 on (output row 6)
  • ellipse/in.ellipse.gayberne
    differs from step 2400 on (output row 25)
  • ellipse/in.ellipse.resquared
    differs from step 2900 on (output row 30)
  • mc/in.gcmc.co2
    differs from step 10000 on (output row 10)
  • mc/in.gcmc.molindex
    differs from step 4000 on (output row 5)
  • meam/in.meam.shear
    differs from step 1600 on (output row 21)
  • mesh/in.mesh_box
    differs from step 1400 on (output row 8)
  • rigid/in.rigid.tnr
    differs from step 5800 on (output row 59)

Not really tested (132)

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 (108)

53no reference log file, run as a crash test
23log file could not be parsed
19no reference log file, not shortened
13no thermo output to compare

○ skipped – Not run at all (24)

21excluded by the test configuration
3needs a multi-partition run

All tests

StatusTestTime (s)Details
✓ passedASPHERE/box/in.box28.2
✓ passedASPHERE/box/in.box.mp30.7
✓ passedASPHERE/dimer/in.dimer9.4
✓ passedASPHERE/dimer/in.dimer.mp9.1
✓ passedASPHERE/ellipsoid/in.ellipsoid14.4
✓ passedASPHERE/ellipsoid/in.ellipsoid.mp13.9
✓ passedASPHERE/flat_membrane/in.flat_membrane10.2
✓ passedASPHERE/line/in.line6.8
✓ passedASPHERE/line/in.line.srd61.0
the run needs 61 s: a production sized run that should be shortened in the repository
✓ passedASPHERE/poly/in.poly12.3
✓ passedASPHERE/poly/in.poly.mp11.9
✓ passedASPHERE/star/in.star17.1
✓ passedASPHERE/star/in.star.mp17.3
✓ passedASPHERE/superellipsoid_gran/in.bowling0.5
✓ passedASPHERE/superellipsoid_gran/in.drop_test14.8
✓ passedASPHERE/superellipsoid_gran/in.ellipsoid_gran0.5
◉ runtestASPHERE/superellipsoid_gran/in.super_table1.4
completed, numerical checks skipped due to missing the reference log file
✓ passedASPHERE/tri/in.tri.srd149.3
the run needs 149 s: a production sized run that should be shortened in the repository
✓ passedASPHERE/vesicle/in.vesicle15.2
✓ passedLEPTON/in.efield-lepton1.8
✓ passedPACKAGES/addtorque_group/in.addtorque69.2
the run needs 69 s: a production sized run that should be shortened in the repository
✗ failedPACKAGES/baoab/in.baoab_lj1.3
completed, 4 abs diff and 4 rel diff checks failed
differs from step 200 on (output row 13)
(last OK: 2026-07-28T00-47-56Z_73a17bb8cd)
✓ passedPACKAGES/bocs/1_site_just_pair_LD/in.basic_ldd2.0
✓ passedPACKAGES/bocs/4_sites_LD_SG/in.ldd_create_data4.6
✓ passedPACKAGES/bocs/4_sites_LD_SG/in.ldd_molecule4.9
✓ passedPACKAGES/bocs/in.methanol35.6
✓ passedPACKAGES/bondval/in.hexbto30.1
✓ passedPACKAGES/brownian/2d_velocity/in.2d.velocity1.4
✓ passedPACKAGES/brownian/align_self/in.alignself_dipole6.3
✓ passedPACKAGES/brownian/align_self/in.alignself_quat11.0
✓ passedPACKAGES/brownian/asphere/in.2d.ellipsoid2.3
✓ passedPACKAGES/brownian/asphere/in.3d.ellipsoid2.2
✓ passedPACKAGES/brownian/point/in.2d.point1.3
✓ passedPACKAGES/brownian/point/in.3d.point1.7
✓ passedPACKAGES/brownian/sphere/in.2d.sphere1.4
✓ passedPACKAGES/brownian/sphere/in.3d.sphere2.2
✓ passedPACKAGES/brownian/spherical_ABP/in.2d.abp3.1
✓ passedPACKAGES/brownian/spherical_ABP/in.3d.ideal_abp9.6
✓ passedPACKAGES/cauchy/in.cauchystat2.6
✓ passedPACKAGES/cgdna/examples/lj_units/oxDNA/duplex1/in.duplex10.6
✓ passedPACKAGES/cgdna/examples/lj_units/oxDNA/duplex2/in.duplex20.8
✓ passedPACKAGES/cgdna/examples/lj_units/oxDNA/potential_file/in.duplex10.7
✓ passedPACKAGES/cgdna/examples/lj_units/oxDNA2/dsring/in.dsring3.3
✓ passedPACKAGES/cgdna/examples/lj_units/oxDNA2/duplex1/in.duplex10.6
✓ passedPACKAGES/cgdna/examples/lj_units/oxDNA2/duplex2/in.duplex20.6
✓ passedPACKAGES/cgdna/examples/lj_units/oxDNA2/duplex3/in.duplex30.6
✓ passedPACKAGES/cgdna/examples/lj_units/oxDNA2/potential_file/in.duplex10.6
✓ passedPACKAGES/cgdna/examples/lj_units/oxDNA3/duplex2/in.duplex20.7
○ skippedPACKAGES/cgdna/examples/lj_units/oxDNA3/unique_bp/in.dsring20.0
skipped as specified in the test configuration
✓ passedPACKAGES/cgdna/examples/lj_units/oxRNA2/duplex2/in.duplex20.6
✓ passedPACKAGES/cgdna/examples/lj_units/oxRNA2/potential_file/in.duplex20.9
✓ passedPACKAGES/cgdna/examples/real_units/oxDNA/duplex1/in.duplex10.6
✓ passedPACKAGES/cgdna/examples/real_units/oxDNA/duplex2/in.duplex20.7
✓ passedPACKAGES/cgdna/examples/real_units/oxDNA/potential_file/in.duplex10.6
✓ passedPACKAGES/cgdna/examples/real_units/oxDNA2/dsring/in.dsring3.5
✓ passedPACKAGES/cgdna/examples/real_units/oxDNA2/duplex1/in.duplex10.6
✓ passedPACKAGES/cgdna/examples/real_units/oxDNA2/duplex2/in.duplex20.7
✓ passedPACKAGES/cgdna/examples/real_units/oxDNA2/duplex3/in.duplex30.7
✓ passedPACKAGES/cgdna/examples/real_units/oxDNA2/potential_file/in.duplex10.6
✓ passedPACKAGES/cgdna/examples/real_units/oxDNA3/duplex2/in.duplex20.9
○ 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.duplex21.1
✓ passedPACKAGES/cgdna/examples/real_units/oxRNA2/potential_file/in.duplex20.8
✓ passedPACKAGES/cgspica/sds-monolayer/in.sds-hybrid9.4
✓ passedPACKAGES/cgspica/sds-monolayer/in.sds-regular9.1
✓ passedPACKAGES/charge_regulation/in.chreg-acid2.8
✓ passedPACKAGES/charge_regulation/in.chreg-acid-real1.4
✓ passedPACKAGES/charge_regulation/in.chreg-polymer1.6
✓ passedPACKAGES/class2xe/in.NVT_class2xe.script0.6
✓ passedPACKAGES/cnp/in.cnp45.5
✓ passedPACKAGES/dielectric/in.confined.dof6.6
✓ passedPACKAGES/dielectric/in.confined.gmres0.9
✓ passedPACKAGES/dielectric/in.confined.icc1.4
✓ passedPACKAGES/dielectric/in.nopbc.dof2.5
✓ passedPACKAGES/dielectric/in.nopbc.gmres0.6
✓ passedPACKAGES/dielectric/in.nopbc.icc0.6
✓ passedPACKAGES/diffraction/in.BulkNi160.2
the run needs 160 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/dispersion/in.d27.3
✓ passedPACKAGES/dispersion/in.d311.8
✗ failedPACKAGES/dpd-basic/dpd/in.dpd1.2
completed, 2 abs diff and 2 rel diff checks failed
differs from step 100 on (output row 1)
✗ failedPACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long1.4
completed, 4 abs diff and 4 rel diff checks failed
differs from step 500 on (output row 5)
(last OK: 2026-08-27T14-10-41Z_d1c9032f71)
✓ passedPACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat15.7
✗ failedPACKAGES/dpd-basic/dpdext/in.dpdext1.8
failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passedPACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat39.2
✗ failedPACKAGES/dpd-meso/edpd/in.edpd105.4
completed, 6 abs diff and 6 rel diff checks failed
differs from step 100 on (output row 1)
the run needs 105 s: a production sized run that should be shortened in the repository
✗ failedPACKAGES/dpd-meso/edpd/in.edpd-region106.3
completed, 6 abs diff and 6 rel diff checks failed
differs from step 100 on (output row 1)
the run needs 106 s: a production sized run that should be shortened in the repository
✗ failedPACKAGES/dpd-meso/mdpd/in.mdpd110.1
completed, 3 abs diff and 3 rel diff checks failed
differs in the very first thermo output
the run needs 110 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/dpd-meso/tdpd/in.tdpd90.6
the run needs 91 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/dpd-meso/tdpd/in.tdpd-region84.2
the run needs 84 s: a production sized run that should be shortened in the repository
◉ runtestPACKAGES/dpd-react/dpd-shardlow/in.dpd-shardlow0.7
completed, numerical checks skipped due to missing the reference log file
◉ runtestPACKAGES/dpd-react/dpd-vv/in.dpd-vv2.1
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/dpd-react/dpde-shardlow/in.dpde-shardlow0.9
completed, numerical checks skipped due to missing the reference log file
◉ runtestPACKAGES/dpd-react/dpde-vv/in.dpde-vv2.1
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/dpd-react/dpdh-shardlow/in.dpdh-shardlow4.7
completed, numerical checks skipped due to missing the reference log file
◉ runtestPACKAGES/dpd-react/dpdp-shardlow/in.dpdp-shardlow0.8
completed, numerical checks skipped due to missing the reference log file
✓ passedPACKAGES/dpd-react/dpdrx-shardlow/in.dpdrx-shardlow0.9
◉ runtestPACKAGES/dpd-react/multi-lucy/in.multi-lucy1.9
completed, numerical checks skipped due to missing the reference log file
◉ runtestPACKAGES/dpd-smooth/2d-diffusion-in-shear-flow/in.lammps1.5
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
no reference log file matches this input, while log.28Mar23.2d-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.lammps1.1
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
no reference log file matches this input, while log.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.lammps23.8
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
no reference log file matches this input, while log.28Mar23.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.lang65.1
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 2)
the run needs 65 s: a production sized run that should be shortened in the repository
✗ failedPACKAGES/drude/butane/in.butane.nh61.2
completed, 3 abs diff and 5 rel diff checks failed
differs from step 150 on (output row 3)
the run needs 61 s: a production sized run that should be shortened in the repository
✗ failedPACKAGES/drude/butane/in.butane.tgnh60.2
completed, 4 abs diff and 4 rel diff checks failed
differs from step 150 on (output row 3)
the run needs 60 s: a production sized run that should be shortened in the repository
✗ failedPACKAGES/drude/ethanol/in.ethanol.lang56.7
completed, 5 abs diff and 5 rel diff checks failed
differs from step 60 on (output row 3)
✗ failedPACKAGES/drude/ethanol/in.ethanol.nh54.7
completed, 5 abs diff and 5 rel diff checks failed
differs from step 60 on (output row 3)
✗ failedPACKAGES/drude/ethanol/in.ethanol.tgnh61.1
completed, 5 abs diff and 5 rel diff checks failed
differs from step 60 on (output row 3)
the run needs 61 s: a production sized run that should be shortened in the repository
✗ failedPACKAGES/drude/ethylene_glycol/in.ethylene_glycol26.1
completed, 4 abs diff and 4 rel diff checks failed
differs from step 50 on (output row 1)
✗ failedPACKAGES/drude/swm4-ndp/in.swm4-ndp.lang87.7
completed, 5 abs diff and 5 rel diff checks failed
differs from step 20 on (output row 1)
the run needs 88 s: a production sized run that should be shortened in the repository
✗ failedPACKAGES/drude/swm4-ndp/in.swm4-ndp.nh72.8
completed, 5 abs diff and 5 rel diff checks failed
differs from step 20 on (output row 1)
the run needs 73 s: a production sized run that should be shortened in the repository
✗ failedPACKAGES/drude/toluene/in.toluene.lang87.4
completed, 5 abs diff and 5 rel diff checks failed
differs in the very first thermo output
the run needs 87 s: a production sized run that should be shortened in the repository
✗ failedPACKAGES/drude/toluene/in.toluene.nh87.4
completed, 5 abs diff and 5 rel diff checks failed
differs in the very first thermo output
the run needs 87 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/e3b/in.e3b-tip4p20053.4
✓ passedPACKAGES/edip/in.edip-Si0.6
✓ passedPACKAGES/edip/in.edip-Si-multi0.9
✓ passedPACKAGES/edip/in.edip-SiC0.5
✓ passedPACKAGES/ees/in.fix_wall0.7
✓ passedPACKAGES/ees/in.fix_wall_region1.0
✓ passedPACKAGES/eff/Auger-Adamantane/in.adamantane_ionized.nve110.1
the run needs 110 s: a production sized run that should be shortened in the repository
◉ runtestPACKAGES/eff/Be-solid/in.Be-solid.spe19.3
completed, numerical checks skipped due to missing the reference log file
✓ passedPACKAGES/eff/CH4/in.ch4.dynamics1.7
✓ passedPACKAGES/eff/CH4/in.ch4.min0.7
✓ passedPACKAGES/eff/CH4/in.ch4_ionized.dynamics22.2
✓ passedPACKAGES/eff/ECP/Si2H6/in.Si2H60.5
✓ passedPACKAGES/eff/ECP/Si2H6/in.Si2H6.ang6.8
◉ runtestPACKAGES/eff/ECP/SiC/bulk/in.SiC48.2
completed, numerical checks skipped due to missing the reference log file
◉ runtestPACKAGES/eff/ECP/SiH4/in.SiH40.7
completed, error parsing log.SiH4.1 into YAML
◉ runtestPACKAGES/eff/ECP/SiH4/in.SiH4.ang0.5
completed, error parsing log.SiH4.ang.1 into YAML
◉ runtestPACKAGES/eff/H/in.h_atom.spe.ang0.6
completed, numerical checks skipped due to missing the reference log file
◉ runtestPACKAGES/eff/H/in.h_atom.spe.bohr0.6
completed, numerical checks skipped due to missing the reference log file
no reference log file matches this input, while log.h_atom.spe.ang.1 in this folder match no input script at all: check the names
◉ runtestPACKAGES/eff/H2/in.h20.7
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/eff/H_plasma/in.h2bulk.npt59.8
completed, numerical checks skipped due to missing the reference log file
◉ runtestPACKAGES/eff/H_plasma/in.h2bulk.nve97.3
completed, numerical checks skipped due to missing the reference log file
the run needs 97 s: a production sized run that should be shortened in the repository
◉ runtestPACKAGES/eff/H_plasma/in.h2bulk.nve.ang104.1
completed, numerical checks skipped due to missing the reference log file
the run needs 104 s: a production sized run that should be shortened in the repository
◉ runtestPACKAGES/eff/Li-dendritic/in.Li-dendritic.min45.5
completed, numerical checks skipped due to missing the reference log file
◉ runtestPACKAGES/eff/Li-dendritic/in.Li-dendritic.nvt90.8
completed, numerical checks skipped due to missing the reference log file
the run needs 91 s: a production sized run that should be shortened in the repository
◉ runtestPACKAGES/eff/Li-solid/in.Li.ang29.0
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/eff/Li-solid/in.Li.bohr68.7
completed, numerical checks skipped due to missing the reference log file
the run needs 69 s: a production sized run that should be shortened in the repository
◉ runtestPACKAGES/eff/fixed-core/C2H6/in.C2H6fc.ang0.5
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/eff/fixed-core/C2H6/in.C2H6fc.bohr0.5
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/eff/fixed-core/CH4/in.CH4fc.ang0.7
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/eff/fixed-core/CH4/in.CH4fc.bohr0.6
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
no reference log file matches this input, while log.CH4fc.ang.smoke.1, log.CH4fc.spe.ang.1 in this folder match no input script at all: check the names
◉ runtestPACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.ang0.6
completed, numerical checks skipped due to missing the reference log file
◉ runtestPACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.bohr0.6
completed, numerical checks skipped due to missing the reference log file
no reference log file matches this input, while log.CH4fc.ang.smoke.1, log.CH4fc.spe.ang.1 in this folder match no input script at all: check the names
✓ passedPACKAGES/electrode/graph-il/in.graph-il-conp71.7
the run needs 72 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/electrode/graph-il/in.graph-il-conq69.3
the run needs 69 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/electrode/graph-il/in.graph-il-conq270.9
the run needs 71 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/electrode/graph-il/in.graph-il-etypes65.4
the run needs 65 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/electrode/graph-il/in.graph-il-ffield66.4
the run needs 66 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/electrode/graph-il/in.graph-il-ramp65.4
the run needs 65 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/electrode/graph-il/in.graph-il-thermo67.8
the run needs 68 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/electrode/madelung/in.madelung-cg0.5
✓ passedPACKAGES/electrode/madelung/in.madelung-eta0.7
✓ passedPACKAGES/electrode/madelung/in.madelung-eta_cg0.5
✓ passedPACKAGES/electrode/madelung/in.madelung-eta_mix0.5
✓ passedPACKAGES/electrode/madelung/in.madelung-ewald-ew2d0.6
✓ passedPACKAGES/electrode/madelung/in.madelung-ewald-ew3dc0.7
✓ passedPACKAGES/electrode/madelung/in.madelung-ewald-ffield0.5
✓ passedPACKAGES/electrode/madelung/in.madelung-pppm-ew3dc0.7
✓ passedPACKAGES/electrode/madelung/in.madelung-pppm-ffield0.6
✓ passedPACKAGES/electrode/planar/in.planar-ewald-ew2d0.7
✓ passedPACKAGES/electrode/planar/in.planar-ewald-ew3dc0.6
✓ passedPACKAGES/electrode/planar/in.planar-ewald-ffield0.7
✓ passedPACKAGES/electrode/planar/in.planar-pppm-ew3dc2.3
✓ passedPACKAGES/electrode/planar/in.planar-pppm-ffield2.5
✓ passedPACKAGES/electron_stopping/in.cascade_AlCu9.2
✓ passedPACKAGES/electron_stopping/in.cascade_SiSi21.7
✓ passedPACKAGES/electron_stopping/in.elstop24.7
✓ passedPACKAGES/electron_stopping/in.elstop.only2.4
◉ runtestPACKAGES/entropy/in.entropy2.8
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✗ failedPACKAGES/extep/in.extep-bn0.6
completed, 3 abs diff and 3 rel diff checks failed
differs from step 20 on (output row 2)
◉ runtestPACKAGES/fep/C7inEthanol/fep01/in.insertion1.0
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/fep/C7inEthanol/fep10/in.deletion1.0
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/fep/CC-CO/fep01/in.fep01.lmp1.7
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/fep/CC-CO/fep10/in.fep10.lmp2.5
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/fep/CH4-CF4/bar01/in.bar01.lmp1.7
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/fep/CH4-CF4/bar10/in.bar10.lmp1.9
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/fep/CH4-CF4/fep01/in.fep01.lmp1.2
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/fep/CH4-CF4/fep10/in.fep10.lmp1.6
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/fep/CH4hyd/fdti01/in.fdti01.lmp3.7
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/fep/CH4hyd/fdti10/in.fdti10.lmp3.7
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/fep/CH4hyd/fep01/in.fep01.lmp3.5
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/fep/CH4hyd/fep10/in.fep10.lmp3.1
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✓ passedPACKAGES/fep/quicktests/in.adapt3.6
✓ passedPACKAGES/fep/quicktests/in.fep_soft2.6
✓ passedPACKAGES/fep/quicktests/in.mbar3.6
◉ runtestPACKAGES/fep/ta/in.spce.lmp6.0
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/filter_corotate/in.bpti31.4
completed, error parsing log.bpti.1 into YAML
✗ failedPACKAGES/filter_corotate/in.respa110.8
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 2)
the run needs 111 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/flow_gauss/in.GD2.3
✓ passedPACKAGES/frenkel/in.frenkel5.1
◉ runtestPACKAGES/gauss_diel/in.gauss-diel0.9
completed, error parsing log.gauss-diel.smoke.1 into YAML
◉ runtestPACKAGES/gauss_diel/in.gauss-diel-cg0.8
completed, error parsing log.gauss-diel-cg.smoke.1 into YAML
◉ runtestPACKAGES/gauss_diel/in.gauss-diel-split0.9
completed, error parsing log.gauss-diel-split.smoke.1 into YAML
✓ passedPACKAGES/gjf/in.gjf.vfull16.6
✓ passedPACKAGES/gjf/in.gjf.vhalf14.8
✗ failedPACKAGES/gle/in.h2o-quantum17.6
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1500 on (output row 15)
✗ failedPACKAGES/gle/in.h2o-smart16.7
completed, 3 abs diff and 3 rel diff checks failed
differs from step 3300 on (output row 33)
◉ runtestPACKAGES/hma/in.hma90.6
completed, but no Step nor Loop in the output
the run needs 91 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/ilves/in.cg-polymers3.9
✓ passedPACKAGES/ilves/in.covid119.8
the run needs 120 s: a production sized run that should be shortened in the repository
◉ runtestPACKAGES/ilves/in.dimer1.1
completed, error parsing log.dimer.1 into YAML
◉ runtestPACKAGES/ilves/in.peptide-allbonds6.3
completed, error parsing log.peptide-allbonds.1 into YAML
◉ runtestPACKAGES/ilves/in.peptide-fixed6.3
completed, error parsing log.peptide-fixed.1 into YAML
◉ runtestPACKAGES/ilves/in.peptide-ilves5.8
completed, error parsing log.peptide-ilves.1 into YAML
◉ runtestPACKAGES/ilves/in.peptide-mix6.4
completed, error parsing log.peptide-mix.1 into YAML
◉ runtestPACKAGES/ilves/in.peptide-rattle5.6
completed, error parsing log.peptide-rattle.1 into YAML
◉ runtestPACKAGES/ilves/in.peptide-shake5.9
completed, error parsing log.peptide-shake.1 into YAML
✓ passedPACKAGES/ilves/in.polymelt30.5
◉ runtestPACKAGES/ilves/in.rhodo-allbonds65.0
completed, error parsing log.rhodo-allbonds.1 into YAML
the run needs 65 s: a production sized run that should be shortened in the repository
◉ runtestPACKAGES/ilves/in.rhodo-ilves63.7
completed, error parsing log.rhodo-ilves.1 into YAML
the run needs 64 s: a production sized run that should be shortened in the repository
◉ runtestPACKAGES/ilves/in.rhodo-shake63.6
completed, error parsing log.rhodo-shake.1 into YAML
the run needs 64 s: a production sized run that should be shortened in the repository
○ 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_water25.2
✗ failedPACKAGES/interlayer/aip_water_2dm/in.gr_water.opt12.6
completed, 0 abs diff and 1 rel diff checks failed
differs from step 1000 on (output row 10)
(last OK: 2026-08-27T14-10-41Z_d1c9032f71)
✗ failedPACKAGES/interlayer/drip/in.CH_drip2.9
completed, 2 abs diff and 1 rel diff checks failed
differs from step 40 on (output row 4)
✓ passedPACKAGES/interlayer/drip/in.C_drip2.8
✓ passedPACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene89.9
the run needs 90 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBN97.0
the run needs 97 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/interlayer/ilp_graphene_hbn/in.grhBN91.3
the run needs 91 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn94.9
the run needs 95 s: a production sized run that should be shortened in the repository
✗ failedPACKAGES/interlayer/ilp_tmds/in.mos274.5
completed, 1 abs diff and 1 rel diff checks failed
differs from step 100 on (output row 1)
the run needs 74 s: a production sized run that should be shortened in the repository
✗ failedPACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphene79.1
failed, mismatched columns in the log files
the run needs 79 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/interlayer/kolmogorov_crespi_z/in.atom-diffusion0.6
✓ passedPACKAGES/interlayer/kolmogorov_crespi_z/in.bilayer-graphene1.6
✓ passedPACKAGES/interlayer/saip_metal/in.gold_gr12.4
✗ failedPACKAGES/interlayer/saip_metal_tmd/in.au_mos287.9
completed, 3 abs diff and 2 rel diff checks failed
differs from step 100 on (output row 1)
the run needs 88 s: a production sized run that should be shortened in the repository
◉ runtestPACKAGES/latboltz/diffusingsphere/in.trapnewsphere15.1
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/latboltz/microrheology/in.microrheology58.6
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✓ passedPACKAGES/latboltz/pit_geometry/in.pits158.8
the run needs 159 s: a production sized run that should be shortened in the repository
◉ runtestPACKAGES/latboltz/planewall/in.planewall12.1
completed, but no Step nor Loop in the output
◉ runtestPACKAGES/latboltz/polymer/in.polymer7.8
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/latboltz/translocation/in.translocation6.6
completed, but no Step nor Loop in the output
◉ runtestPACKAGES/local_density/benzene_water/in.benzene_water30.3
completed, but no Step nor Loop in the output
◉ runtestPACKAGES/local_density/methanol_implicit_water/in.methanol_implicit_water79.0
completed, but no Step nor Loop in the output
the run needs 79 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/machdyn/aluminum_strip_pull/in.aluminum_strip_pull2.4
✓ passedPACKAGES/machdyn/fluid_structure_interaction/in.fluid_structure_interaction36.4
✓ passedPACKAGES/machdyn/funnel_flow/in.funnel_flow43.6
✗ failedPACKAGES/machdyn/rubber_rings_3d/in.rubber_rings_3d24.2
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_pull4.5
✗ failedPACKAGES/manybody_table/in.spce6.1
completed, 3 abs diff and 3 rel diff checks failed
differs from step 400 on (output row 4)
✗ failedPACKAGES/manybody_table/in.spce26.0
completed, 3 abs diff and 3 rel diff checks failed
differs from step 400 on (output row 4)
✗ failedPACKAGES/manybody_table/in.spce_sw6.2
completed, 1 abs diff and 1 rel diff checks failed
differs from step 900 on (output row 9)
✓ passedPACKAGES/meam_spline/in.meam-spline.Si3.4
✓ passedPACKAGES/meam_spline/in.meam-spline.TiO2100.8
the run needs 101 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/meam_sw_spline/Si/in.bcc0.5
✓ passedPACKAGES/meam_sw_spline/Si/in.bcc_relax0.8
✓ passedPACKAGES/meam_sw_spline/Si/in.dc0.7
✓ passedPACKAGES/meam_sw_spline/Si/in.dc_relax1.4
✓ passedPACKAGES/meam_sw_spline/Si/in.energy_conservation.meam.sw18.6
✓ passedPACKAGES/meam_sw_spline/Si/in.fcc0.5
✓ passedPACKAGES/meam_sw_spline/Si/in.fcc_relax0.7
✓ passedPACKAGES/meam_sw_spline/Si/in.hcp_relax2.0
✓ passedPACKAGES/meam_sw_spline/Si/in.sc0.6
✓ passedPACKAGES/meam_sw_spline/Si/in.sc_relax0.8
✓ passedPACKAGES/meam_sw_spline/Si/in.single_atom0.5
✓ passedPACKAGES/meam_sw_spline/Ti/in.alpha0.6
✓ passedPACKAGES/meam_sw_spline/Ti/in.alpha_relaxation1.8
✓ passedPACKAGES/meam_sw_spline/Ti/in.beta0.6
✗ failedPACKAGES/meam_sw_spline/Ti/in.energy_conservation.meam.sw89.5
completed, 2 abs diff and 2 rel diff checks failed
differs from step 140 on (output row 14)
the run needs 90 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/meam_sw_spline/Ti/in.fcc0.6
✓ passedPACKAGES/meam_sw_spline/Ti/in.hexagonal0.6
✓ passedPACKAGES/meam_sw_spline/Ti/in.omega0.6
✓ passedPACKAGES/meam_sw_spline/Ti/in.single_atom0.6
✓ passedPACKAGES/mesomem/in.selfassembly16.8
✓ passedPACKAGES/mgpt/in.bcc00.6
✓ passedPACKAGES/mgpt/in.vac0-bcc0.6
✓ passedPACKAGES/mgpt/in.vacmin-bcc8.5
✓ passedPACKAGES/mofff/in.hkust10.7
✓ passedPACKAGES/mofff/in.hkust1_long0.7
✓ passedPACKAGES/momb/in.system18.0
✓ passedPACKAGES/moments/in.converge26.3
✓ passedPACKAGES/moments/in.simple32.4
✓ passedPACKAGES/moments/in.valtest1.0
◉ 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_mop0.6
✓ passedPACKAGES/neighbor-swap/in.KMC_pulse_center69.2
the run needs 69 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/neighbor-swap/in.KMC_pulse_edge70.3
the run needs 70 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/orient_eco/in.orient_eco130.4
the run needs 130 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/pace/compute/in.compute0.9
✓ passedPACKAGES/pace/in.pace.product15.7
✓ passedPACKAGES/pace/in.pace.recursive11.2
✓ passedPACKAGES/pafi/in.pafi7.5
✗ failedPACKAGES/pedone/in.pedone.melt16.6
completed, 3 abs diff and 2 rel diff checks failed
differs from step 600 on (output row 6)
✗ failedPACKAGES/pedone/in.pedone.relax23.1
failed, thermo checks skipped due to mismatched number of steps in the log files
◉ runtestPACKAGES/phonon/1-1D-mono/in.Ana0.5
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skippedPACKAGES/phonon/1-1D-mono/in.disp0.0
skipped as specified in the test configuration
✓ passedPACKAGES/phonon/2-1D-diatomic/in.Ana22.4
○ skippedPACKAGES/phonon/2-1D-diatomic/in.disp0.0
skipped as specified in the test configuration
◉ runtestPACKAGES/phonon/3-3D-FCC-Cu-EAM/in.EAM3D0.5
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skippedPACKAGES/phonon/3-3D-FCC-Cu-EAM/in.disp0.0
skipped as specified in the test configuration
○ skippedPACKAGES/phonon/3-3D-FCC-Cu-EAM/in.disp20.0
skipped as specified in the test configuration
○ skippedPACKAGES/phonon/3-3D-FCC-Cu-EAM/in.dos0.0
skipped as specified in the test configuration
○ skippedPACKAGES/phonon/4-Graphene/in.disp0.0
skipped as specified in the test configuration
◉ runtestPACKAGES/phonon/4-Graphene/in.graphene0.6
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/phonon/dynamical_matrix_command/Silicon/in.silicon0.5
completed, but no Step nor Loop in the output
○ skippedPACKAGES/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.fitpod1.2
completed, but no Step nor Loop in the output
✓ passedPACKAGES/pod/Ta/in.pod1.2
✓ passedPACKAGES/pod/Ta/in.pod.compute0.6
✓ passedPACKAGES/ptm/in.ptm0.7
✗ failedPACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst62.8
completed, 3 abs diff and 4 rel diff checks failed
differs in the very first thermo output
the run needs 63 s: a production sized run that should be shortened in the repository
✗ failedPACKAGES/qtb/alpha_quartz_qtb/in.alpha_quartz_qtb14.3
completed, 2 abs diff and 2 rel diff checks failed
differs from step 1000 on (output row 2)
✓ passedPACKAGES/qtb/methane_qbmsst/in.methane_qbmsst111.1
the run needs 111 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/qtb/methane_qtb/in.methane_qtb12.7
✓ passedPACKAGES/quip/in.gap2.8
✓ passedPACKAGES/quip/in.molecular0.7
✓ passedPACKAGES/quip/in.sw1.6
✗ failedPACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene9.4
completed, 2 abs diff and 2 rel diff checks failed
differs from step 500 on (output row 5)
✓ passedPACKAGES/reaction/nylon,6-6_melt/in.large_nylon_melt83.1
the run needs 83 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/reaction/tiny_epoxy/in.tiny_epoxy.stabilized0.9
✗ failedPACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized3.6
completed, 2 abs diff and 2 rel diff checks failed
differs from step 550 on (output row 11)
✓ passedPACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized_variable_probability0.7
✓ passedPACKAGES/reaction/tiny_nylon/in.tiny_nylon.unstabilized1.0
✗ failedPACKAGES/reaction/tiny_nylon_json/in.tiny_nylon.stabilized2.9
completed, 2 abs diff and 2 rel diff checks failed
differs from step 550 on (output row 11)
✗ failedPACKAGES/reaction/tiny_nylon_wildcards/in.tiny_nylon.stabilized3.6
completed, 2 abs diff and 2 rel diff checks failed
differs from step 550 on (output row 11)
(last OK: 2026-08-22T09-25-52Z_320a38e835)
✗ failedPACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized26.1
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.real69.3
the run needs 69 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/relres/in.22DMH.relres11.7
✓ passedPACKAGES/relres/in.22DMH.respa8.2
✓ passedPACKAGES/rhok/in.crystal29.4
✓ passedPACKAGES/rhok/in.pinning28.7
✓ passedPACKAGES/rhok/in.setup22.9
✓ passedPACKAGES/shock/hugoniostat/in.hugoniostat12.1
✓ passedPACKAGES/shock/msst/in.msst8.6
✗ failedPACKAGES/shock/nemd/in.nemd22.0
completed, 8 abs diff and 8 rel diff checks failed
differs from step 800 on (output row 12)
◉ runtestPACKAGES/slater/in.slater35.2
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/sna_nnn_slcsa/in.slcsa60.1
completed, error parsing log.slcsa.1 into YAML
the run needs 60 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/srp/in.srp11.5
✓ passedPACKAGES/srp_react/in.srp_react93.9
the run needs 94 s: a production sized run that should be shortened in the repository
✓ passedPACKAGES/stressprofile/in.cylinder6.7
✓ passedPACKAGES/stressprofile/in.flat4.0
✓ passedPACKAGES/stressprofile/in.sphere2.7
✓ passedPACKAGES/tally/in.force3.9
✓ passedPACKAGES/tally/in.pe3.8
✓ passedPACKAGES/tally/in.stress4.0
◉ runtestPACKAGES/ti/in.ti_spring0.9
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/tmd/in.tmd6.0
completed, error parsing log.tmd.1 into YAML
✓ passedPACKAGES/tracker/in.track0.9
✓ passedPACKAGES/uef/npt_biaxial/in.npt_biaxial5.4
✓ passedPACKAGES/uef/nvt_uniaxial/in.nvt_uniaxial4.9
✓ passedPACKAGES/uf3/in.uf3.Nb0.9
◉ runtestPACKAGES/vtk/in.vtk0.9
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/vtk/in.vtp0.9
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestPACKAGES/yaff/mil53al/in.mil53a16.3
completed, error parsing log.mil53a.1 into YAML
◉ runtestPACKAGES/yaff/mof5/in.mof53.8
completed, error parsing log.mof5.1 into YAML
✓ passedSPIN/bfo/in.spin.bfo12.6
✓ passedSPIN/cobalt_fcc/in.spin.cobalt_fcc2.8
✓ passedSPIN/cobalt_hcp/in.spin.cobalt_hcp3.7
✓ passedSPIN/dipole_spin/in.spin.iron_dipole_cut9.5
✓ passedSPIN/dipole_spin/in.spin.iron_dipole_ewald16.3
✓ passedSPIN/dipole_spin/in.spin.iron_dipole_pppm17.5
○ skippedSPIN/gneb/iron/in.gneb.iron0.0
skipped, needs a multi-partition run ("fix 3 all neb/spin")
○ skippedSPIN/gneb/skyrmion/in.gneb.skyrmion0.0
skipped, needs a multi-partition run ("fix 3 all neb/spin")
✓ passedSPIN/iron/in.spin.iron1.8
✓ passedSPIN/iron/in.spin.iron_cubic1.2
✓ passedSPIN/nickel/in.spin.nickel2.8
✓ passedSPIN/nickel/in.spin.nickel_cubic3.5
✓ passedSPIN/read_restart/in.spin.read_data5.7
✓ passedSPIN/read_restart/in.spin.restart1.6
✓ passedSPIN/read_restart/in.spin.write_restart2.4
✓ passedSPIN/setforce_spin/in.spin.setforce0.6
✓ passedSPIN/spinmin/in.spin.bfo_min10.2
✓ passedSPIN/spinmin/in.spin.bfo_min_cg10.6
✓ passedSPIN/spinmin/in.spin.bfo_min_lbfgs1.0
✓ passedSPIN/spinmin/in.spin.iron_min0.9
✗ failedSPIN/test_problems/validation_nve/in.spin.iron-nve2.4
completed, 2 abs diff and 2 rel diff checks failed
differs from step 6400 on (output row 32)
✗ failedSPIN/test_problems/validation_nvt/in.spin.nvt_lattice15.1
completed, 3 abs diff and 3 rel diff checks failed
differs from step 200 on (output row 1)
✓ passedSPIN/test_problems/validation_nvt/in.spin.nvt_spin14.1
✓ passedUNITS/in.ar.lj0.5
✓ passedUNITS/in.ar.metal0.6
✓ passedUNITS/in.ar.real0.7
✓ passedairebo/in.airebo81.2
the run needs 81 s: a production sized run that should be shortened in the repository
✓ passedairebo/in.airebo-0-08.1
✓ passedairebo/in.airebo-bc77.6
the run needs 78 s: a production sized run that should be shortened in the repository
✓ passedairebo/in.airebo-m84.2
the run needs 84 s: a production sized run that should be shortened in the repository
✓ passedairebo/in.rebo27.1
✓ passedamoeba/in.ubiquitin21.8
✓ passedamoeba/in.water_box.amoeba12.6
✓ passedamoeba/in.water_box.hippo11.1
✓ passedamoeba/in.water_dimer.amoeba0.6
✓ passedamoeba/in.water_dimer.hippo0.7
✓ passedamoeba/in.water_hexamer.amoeba0.6
✓ passedamoeba/in.water_hexamer.hippo0.6
✓ passedatm/in.atm18.1
◉ runtestbalance/in.balance0.5
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
no reference log file matches this input, while log.balance.bond.slow.smoke.1, log.balance.clock.dynamic.smoke.1, log.balance.clock.static.smoke.1, ... in this folder match no input script at all: che ...
◉ runtestbalance/in.balance.bond.fast0.5
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
no reference log file matches this input, while log.balance.bond.slow.smoke.1, log.balance.clock.dynamic.smoke.1, log.balance.clock.static.smoke.1, ... in this folder match no input script at all: che ...
◉ runtestbalance/in.balance.bond.slow0.6
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
no reference log file matches this input, while log.balance.clock.dynamic.smoke.1, log.balance.clock.static.smoke.1, log.balance.group.dynamic.smoke.1, ... in this folder match no input script at all: ...
◉ runtestbalance/in.balance.clock.dynamic4.9
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
no reference log file matches this input, while log.balance.neigh.static.smoke.1 in this folder match no input script at all: check the names
◉ runtestbalance/in.balance.clock.static3.1
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
no reference log file matches this input, while log.balance.clock.dynamic.smoke.1, log.balance.kspace.smoke.1, log.balance.neigh.dynamic.smoke.1, ... in this folder match no input script at all: check ...
◉ runtestbalance/in.balance.group.dynamic1.7
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.balance.clock.dynamic.smoke.1, log.balance.clock.static.smoke.1, log.balance.kspace.smoke.1, ... in this folder match no input script at all: check ...
◉ runtestbalance/in.balance.group.static1.4
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.balance.clock.dynamic.smoke.1, log.balance.kspace.smoke.1, log.balance.neigh.dynamic.smoke.1, ... in this folder match no input script at all: check ...
◉ runtestbalance/in.balance.kspace2.4
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.balance.clock.dynamic.smoke.1, log.balance.neigh.static.smoke.1 in this folder match no input script at all: check the names
◉ runtestbalance/in.balance.neigh.dynamic4.8
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
no reference log file matches this input, while log.balance.clock.dynamic.smoke.1, log.balance.neigh.static.smoke.1 in this folder match no input script at all: check the names
◉ runtestbalance/in.balance.neigh.rcb2.5
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
no reference log file matches this input, while log.balance.clock.dynamic.smoke.1, log.balance.clock.static.smoke.1, log.balance.group.dynamic.smoke.1, ... in this folder match no input script at all: ...
◉ runtestbalance/in.balance.neigh.static6.2
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestbalance/in.balance.var.dynamic4.7
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.balance.clock.dynamic.smoke.1, log.balance.kspace.smoke.1, log.balance.neigh.dynamic.smoke.1, ... in this folder match no input script at all: check ...
✗ failedbody/in.body2.1
completed, 3 abs diff and 3 rel diff checks failed
differs from step 100 on (output row 1)
(last OK: 2026-09-27T08-48-33Z_12ed046a49)
✓ passedbody/in.cubes17.8
✓ passedbody/in.heap3d30.9
✓ passedbody/in.pour3d1.0
✗ failedbody/in.squares6.3
completed, 3 abs diff and 3 rel diff checks failed
differs from step 11000 on (output row 11)
✗ failedbody/in.wall2d4.9
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 1)
✓ passedbpm/impact/in.bpm.impact.rotational77.0
the run needs 77 s: a production sized run that should be shortened in the repository
✓ passedbpm/impact/in.bpm.impact.spring17.5
✓ passedbpm/metamaterial/in.bpm.metamaterial112.7
the run needs 113 s: a production sized run that should be shortened in the repository
✓ passedbpm/peri/benchmark/in.bench.bpm.pmb3.3
✓ passedbpm/peri/benchmark/in.bench.legacy.pmb8.6
✓ passedbpm/peri/in.bpm.peri.eps36.6
✓ passedbpm/peri/in.bpm.peri.lps31.7
✓ passedbpm/peri/in.bpm.peri.pmb26.4
✓ passedbpm/peri/in.bpm.peri.ves38.6
✓ passedbpm/plasticity/in.bpm.plasticity159.7
the run needs 160 s: a production sized run that should be shortened in the repository
✓ passedbpm/poissons_ratio/in.bpm.poissons_ratio85.3
the run needs 85 s: a production sized run that should be shortened in the repository
◴ 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.wires22.0
✓ passedcharmmfsw/in.charmmfsw21.2
✗ failedcmap/in.cmap2.4
completed, 1 abs diff and 1 rel diff checks failed
differs from step 10000 on (output row 10)
✗ failedcolloid/in.colloid6.3
completed, 3 abs diff and 3 rel diff checks failed
differs from step 6000 on (output row 6)
✓ passedcomb/in.comb.Cu0.7
✓ passedcomb/in.comb.Cu2O.elastic30.2
✓ passedcomb/in.comb.HfO26.8
✓ passedcomb/in.comb.Si0.7
✓ passedcomb/in.comb.Si.elastic1.3
✓ passedcomb/in.comb316.8
✓ passedcontroller/in.controller.temp11.8
✓ passedcontroller/in.controller.wall30.1
✗ failedcoreshell/in.coreshell15.5
completed, 10 abs diff and 10 rel diff checks failed
differs from step 50 on (output row 1)
✓ passedcoreshell/in.coreshell.dsf27.1
✗ failedcoreshell/in.coreshell.thermostats20.9
completed, 15 abs diff and 15 rel diff checks failed
differs from step 50 on (output row 1)
✗ failedcoreshell/in.coreshell.wolf37.9
completed, 10 abs diff and 10 rel diff checks failed
differs from step 50 on (output row 1)
✓ passedcrack/in.crack5.0
✓ passeddeposit/in.deposit.atom4.4
✓ passeddeposit/in.deposit.molecule6.3
✓ passeddeposit/in.deposit.molecule.rigid-nve-small5.8
✓ passeddeposit/in.deposit.molecule.rigid-nvt-small5.9
✓ passeddeposit/in.deposit.molecule.rigid-small6.1
✓ passeddeposit/in.deposit.molecule.shake5.9
✓ passeddipole/in.charge_dipole29.8
✓ passeddipole/in.dipole1.3
◉ runtestdreiding/in.dreiding1.0
completed, error parsing log.dreiding.1 into YAML
✓ passedeim/in.eim5.1
✗ failedellipse/in.ellipse.gayberne2.2
completed, 2 abs diff and 2 rel diff checks failed
differs from step 2400 on (output row 25)
✗ failedellipse/in.ellipse.resquared3.8
completed, 0 abs diff and 2 rel diff checks failed
differs from step 2900 on (output row 30)
✓ passedfire/in.abcfire0.8
✓ passedfire/in.abcfire_mod1.1
✓ passedfire/in.cg1.0
✓ passedfire/in.fire0.7
✓ passedfire/in.fire_mod0.7
✓ passedfire/in.meam.abcfire61.8
the run needs 62 s: a production sized run that should be shortened in the repository
✓ passedfire/in.meam.fire84.9
the run needs 85 s: a production sized run that should be shortened in the repository
✓ passedflow/in.flow.couette0.7
✓ passedflow/in.flow.pois0.9
✓ passedfriction/in.friction4.7
✗ failedgranregion/in.granregion.box1.0
completed, 6 abs diff and 10 rel diff checks failed
differs from step 400 on (output row 4)
✓ passedgranregion/in.granregion.funnel123.6
the run needs 124 s: a production sized run that should be shortened in the repository
✓ passedgranregion/in.granregion.mixer34.5
✓ passedgransurf/in.line.gran.data0.9
✓ passedgransurf/in.line.gran.global0.7
✓ passedgransurf/in.line.gran.surf0.8
✓ passedgransurf/in.screwfeeder.local116.8
the run needs 117 s: a production sized run that should be shortened in the repository
✓ passedgransurf/in.tri.gran.data1.3
✓ passedgransurf/in.tri.gran.global1.1
✓ passedgransurf/in.tri.gran.global.stl0.9
✓ passedgransurf/in.tri.gran.surf1.3
✓ passedgransurf/in.tri.gran.surf.stl1.1
✓ passedgransurf/in.tribox.gran.data1.8
✓ passedgransurf/in.tribox.gran.global2.3
✓ passedgransurf/in.tribox.gran.global.stl0.8
✓ passedgransurf/in.tribox.gran.surf2.7
✓ passedgransurf/in.tribox.gran.surf.stl1.9
✓ passedgranular/in.chute11.2
✓ passedgranular/in.pour.drum15.6
✓ passedgranular/in.pour.flatwall9.4
✓ passedgranular/in.pour.heat107.5
the run needs 108 s: a production sized run that should be shortened in the repository
✓ passedgranular/in.restitution1.3
✓ passedgranular/in.sync_verlet0.7
✓ passedgranular/in.tableting.20020.8
✓ passedgranular/in.triaxial.compaction.121.9
✓ passedgrid/in.grid.2d0.7
✓ passedgrid/in.grid.3d1.9
✓ passedgrid/in.sph45.7
✓ passedindent/in.indent3.7
✓ passedindent/in.indent.min0.8
✓ passedkim/in.lammps.melt2.6
✗ failedmc/in.gcmc.co226.5
completed, 3 abs diff and 3 rel diff checks failed
differs from step 10000 on (output row 10)
(last OK: 2026-09-29T08-50-00Z_b332f28ce4)
✗ failedmc/in.gcmc.h2o149.1
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1000 on (output row 3)
the run needs 149 s: a production sized run that should be shortened in the repository
✓ passedmc/in.gcmc.lj17.8
✗ failedmc/in.gcmc.molindex37.5
completed, 6 abs diff and 6 rel diff checks failed
differs from step 4000 on (output row 5)
✓ passedmc/in.gcmc.region2.6
✓ passedmc/in.gcmc.restart16.2
○ skippedmc/in.gemc.lj0.0
skipped, needs a multi-partition run ("partition")
✓ passedmc/in.hmc.flexible.melt19.0
✗ failedmc/in.hmc.rigid18.4
completed, 6 abs diff and 6 rel diff checks failed
differs from step 100 on (output row 1)
◉ runtestmc/in.mixed0.7
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.29Sep2026.gemc.lj.0.g++.5, log.29Sep2026.gemc.lj.1.g++.5, log.hmc.flexible.melt.1 in this folder match no input script at all: check the names
◉ runtestmc/in.pure0.7
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.29Sep2026.gemc.lj.0.g++.5, log.29Sep2026.gemc.lj.1.g++.5, log.hmc.flexible.melt.1 in this folder match no input script at all: check the names
✗ failedmc/in.sgcmc.eam74.5
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1300 on (output row 13)
the run needs 74 s: a production sized run that should be shortened in the repository
(last OK: 2026-09-11T17-21-58Z_e44c82ff59)
✓ passedmc/in.widom.lj14.8
✓ passedmc/in.widom.spce42.3
✓ passedmeam/in.meam0.5
✗ failedmeam/in.meam.shear42.8
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1600 on (output row 21)
✓ passedmeam/msmeam/in.msmeam0.6
✓ passedmelt/in.melt1.2
✗ failedmesh/in.marble_race145.1
completed, 5 abs diff and 5 rel diff checks failed
differs in the very first thermo output
the run needs 145 s: a production sized run that should be shortened in the repository
✗ failedmesh/in.mesh_box14.1
completed, 3 abs diff and 3 rel diff checks failed
differs from step 1400 on (output row 8)
✗ failedmicelle/in.micelle0.9
completed, 0 abs diff and 1 rel diff checks failed
differs from step 850 on (output row 38)
✓ passedmicelle/in.micelle-rigid0.9
✓ passedmin/in.min0.8
✓ passedmin/in.min.box3.5
◉ runtestmliap/in.mliap.ace.compute0.8
completed, but no Step nor Loop in the output
✓ passedmliap/in.mliap.nn.Cu7.0
✓ passedmliap/in.mliap.nn.Ta06A2.4
○ 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.compute0.6
completed, but no Step nor Loop in the output
✓ passedmliap/in.mliap.snap.Ta06A1.5
✓ passedmliap/in.mliap.snap.WBe.PRB20195.3
✓ passedmliap/in.mliap.snap.chem32.3
◉ runtestmliap/in.mliap.snap.compute0.6
completed, but no Step nor Loop in the output
✓ passedmliap/in.mliap.snap.quadratic3.3
◉ runtestmliap/in.mliap.so3.Ni_Mo0.7
completed, but no Step nor Loop in the output
✓ passedmliap/in.mliap.so3.nn.Si5.8
○ skippedmliap/in.mliap.unified.lj.Ar0.0
skipped as specified in the test configuration
✗ failedmulti/in.colloid0.9
failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failedmulti/in.granular1.6
failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failedmulti/in.powerlaw4.3
failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passednb3b/in.nb3b4.2
✓ passednb3b/in.nb3b.screened57.7
✓ passednemd/in.nemd0.6
✓ passednumdiff/in.numdiff1.1
✓ passedobstacle/in.obstacle2.3
◉ runtestpeptide/in.peptide6.0
completed, error parsing log.peptide.1 into YAML
✓ passedperi/in.peri-pmb21.5
✓ passedperi/in.peri.eps34.3
✓ passedperi/in.peri.lps30.9
✓ passedperi/in.peri.pmb19.0
✓ passedperi/in.peri.ves32.9
✓ passedpour/in.pour23.3
✓ passedpour/in.pour.2d3.3
✓ passedpour/in.pour.2d.molecule3.3
✓ passedpython/in.fix_python_invoke1.3
✓ passedpython/in.fix_python_invoke_neighlist0.8
✓ passedpython/in.fix_python_move_nve_melt5.2
✓ passedpython/in.fix_python_move_nve_melt_group3.5
✓ passedpython/in.fix_python_move_nve_melt_opt1.3
✓ passedpython/in.pair_python_coulomb5.0
✓ passedpython/in.pair_python_harmonic53.5
✓ passedpython/in.pair_python_hybrid16.4
✓ passedpython/in.pair_python_long6.4
✓ passedpython/in.pair_python_melt34.9
✓ passedpython/in.pair_python_spce15.2
✓ passedpython/in.pair_python_table1.1
✓ passedpython/in.python0.6
✓ passedpython/in.python.wrap0.5
✓ passedqeq/in.qeq.buck26.8
✓ passedqeq/in.qeq.reaxff0.7
✓ passedqeq/in.qeq.xlmd1.0
✗ failedrdf-adf/in.spce105.3
completed, 6 abs diff and 5 rel diff checks failed
differs in the very first thermo output
the run needs 105 s: a production sized run that should be shortened in the repository
✗ failedrdf-adf/in.spce.hbond91.8
completed, 5 abs diff and 5 rel diff checks failed
differs from step 200 on (output row 2)
the run needs 92 s: a production sized run that should be shortened in the repository
✓ passedreaxff/AB/in.AB4.5
✓ passedreaxff/AuO/in.AuO10.2
✓ passedreaxff/CHO/in.CHO5.9
✓ passedreaxff/FC/in.FC23.1
✓ passedreaxff/FeOH3/in.FeOH34.2
✓ passedreaxff/HNS/in.reaxff.hns27.0
✓ passedreaxff/RDX/in.RDX8.8
✓ passedreaxff/VOH/in.VOH3.2
✓ passedreaxff/ZnOH2/in.ZnOH21.3
✓ passedreaxff/ci-reaxFF/in.ci-reax.CH22.7
✓ passedreaxff/in.reaxff.rdx0.7
✓ passedreaxff/in.reaxff.rdx-shielded0.9
✓ passedreaxff/in.reaxff.tatb3.4
✓ passedreaxff/in.reaxff.tatb-shielded3.4
✓ passedreaxff/water/in.water.acks216.7
✓ passedreaxff/water/in.water.acks2.field20.1
✓ passedreaxff/water/in.water.qeq7.9
✓ passedreaxff/water/in.water.qeq.field7.4
✓ passedreaxff/water/in.water.qeqr8.6
✓ passedreaxff/water/in.water.qeqr.field11.7
✓ passedreaxff/water/in.water.qtpie11.6
✓ passedreaxff/water/in.water.qtpie.field11.1
✓ passedreplicate/in.replicate.bond.x0.8
✓ passedreplicate/in.replicate.bond.x.noloop0.8
✓ passedreplicate/in.replicate.bond.x.y0.9
✓ passedreplicate/in.replicate.bond.xy0.8
✓ passedreplicate/in.replicate.cnt11.9
◉ runtestrheo/balloon/in.rheo.balloon1.8
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✓ passedrheo/dam-break/in.rheo.dam.break146.8
the run needs 147 s: a production sized run that should be shortened in the repository
✗ failedrheo/ice-cubes/in.rheo.ice.cubes198.2
completed, 0 abs diff and 1 rel diff checks failed
differs from step 200 on (output row 1)
the run needs 198 s: a production sized run that should be shortened in the repository
(last OK: 2026-07-28T00-47-56Z_73a17bb8cd)
◉ runtestrheo/oxidation/in.rheo.oxidation1.7
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtestrheo/poiseuille/in.rheo.poiseuille0.7
completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✓ passedrheo/taylor-green/in.rheo.taylor.green121.8
the run needs 122 s: a production sized run that should be shortened in the repository
✓ passedrigid/in.rigid0.6
✓ passedrigid/in.rigid.atomfile0.7
✓ passedrigid/in.rigid.atomvar0.6
✓ passedrigid/in.rigid.cubes1.0
✓ passedrigid/in.rigid.cubes.gravity1.1
✓ passedrigid/in.rigid.cubes.langevin0.8
✓ passedrigid/in.rigid.cubes.multirun0.7
✓ passedrigid/in.rigid.cubes.nph1.2
✓ passedrigid/in.rigid.cubes.npt1.6
✓ passedrigid/in.rigid.cubes.nve1.0
✓ passedrigid/in.rigid.cubes.nvt1.1
✓ passedrigid/in.rigid.cubes.partial0.9
✓ passedrigid/in.rigid.cubes.tri1.1
✓ passedrigid/in.rigid.dipoles0.7
✓ passedrigid/in.rigid.early0.6
✓ passedrigid/in.rigid.ellipsoids0.6
✓ passedrigid/in.rigid.gravity1.1
✓ passedrigid/in.rigid.infile0.6
✓ passedrigid/in.rigid.molecule0.6
✓ passedrigid/in.rigid.nve0.6
✓ passedrigid/in.rigid.nve.early0.6
✓ passedrigid/in.rigid.property0.6
✓ passedrigid/in.rigid.small0.7
✓ passedrigid/in.rigid.small.infile0.8
✓ passedrigid/in.rigid.spheres0.8
✗ failedrigid/in.rigid.tnr19.2
completed, 18 abs diff and 22 rel diff checks failed
differs from step 5800 on (output row 59)
✓ passedshear/in.shear6.4
✓ passedshear/in.shear.void5.3
✓ passedsnap/in.C_SNAP62.1
the run needs 62 s: a production sized run that should be shortened in the repository
✓ passedsnap/in.gaussian.grid0.6
✓ passedsnap/in.snap.InP.JCPA202033.2
✓ passedsnap/in.snap.Mo_Chen2.3
✓ passedsnap/in.snap.Ta06A2.2
✓ passedsnap/in.snap.W.29405.9
✓ passedsnap/in.snap.WBe.PRB20193.3
◉ runtestsnap/in.snap.compute0.5
completed, but no Step nor Loop in the output
◉ runtestsnap/in.snap.compute.quadratic0.6
completed, but no Step nor Loop in the output
✓ passedsnap/in.snap.grid0.6
✓ passedsnap/in.snap.grid.triclinic0.6
✓ passedsnap/in.snap.hybrid.WSNAP.HePair5.1
✓ passedsnap/in.snap.scale.Ni_Zuo_JCPA20206.9
✗ failedsrd/in.srd.mixture3.5
completed, 3 abs diff and 3 rel diff checks failed
differs from step 800 on (output row 10)
✓ passedsrd/in.srd.pure6.2
✓ passedsteinhardt/in.bcc0.5
✓ passedsteinhardt/in.fcc0.6
✓ passedsteinhardt/in.icos2.5
✓ passedstreitz/in.ctip203.9
the run needs 204 s: a production sized run that should be shortened in the repository
◉ runteststreitz/in.gan1.6
completed, numerical checks skipped due to missing the reference log file
✗ failedstreitz/in.streitz.ewald88.7
completed, 1 abs diff and 2 rel diff checks failed
differs in the very first thermo output
the run needs 89 s: a production sized run that should be shortened in the repository
✗ failedstreitz/in.streitz.wolf105.5
failed, mismatched columns in the log files
the run needs 106 s: a production sized run that should be shortened in the repository
✓ passedstress_vcm/in.stress_vcm26.1
✗ failedtemplate/in.hybrid10.9
completed, 3 abs diff and 3 rel diff checks failed
differs from step 400 on (output row 4)
✗ failedtemplate/in.mol-data-mix23.4
completed, 3 abs diff and 3 rel diff checks failed
differs from step 200 on (output row 2)
✓ passedtemplate/in.mol-restart-mix57.4
✗ failedtemplate/in.molecular-mix33.8
completed, 5 abs diff and 5 rel diff checks failed
differs from step 190 on (output row 2)
✗ failedtemplate/in.template-mix34.7
completed, 5 abs diff and 5 rel diff checks failed
differs from step 190 on (output row 2)
✗ failedtemplate/in.tmpl-data-mix23.4
completed, 3 abs diff and 3 rel diff checks failed
differs from step 200 on (output row 2)
✓ passedtemplate/in.tmpl-restart-mix60.1
the run needs 60 s: a production sized run that should be shortened in the repository
✓ passedtersoff/in.hBN_shift1.6
✓ passedtersoff/in.tersoff1.0
✓ passedthreebody/in.mos2-bulk0.6
✓ passedthreebody/in.mos2.rebomos28.1
✓ passedthreebody/in.mos2.sw.mod3.5
✓ passedthreebody/in.threebody2.5
✓ passedtriclinic/in.bcc.orthog0.5
✓ passedtriclinic/in.bcc.primitive0.6
✓ passedtriclinic/in.data.general0.5
✓ passedtriclinic/in.fcc.orthog0.5
✓ passedtriclinic/in.fcc.primitive0.5
✓ passedtriclinic/in.hex.orthog0.6
✓ passedtriclinic/in.hex.primitive0.5
✓ passedtriclinic/in.sq2.orthog0.5
✓ passedtriclinic/in.sq2.primitive0.6
✓ passedttm/in.ttm30.0
✓ passedttm/in.ttm.cascade35.3
✓ passedttm/in.ttm.grid29.8
✓ passedttm/in.ttm.mod9.9
✓ passedttm/in.ttm.thermal29.5
✓ passedvashishta/in.vashishta.inp0.7
✓ passedvashishta/in.vashishta.sio21.0
✓ passedvashishta/in.vashishta.table.inp0.6
✓ passedvashishta/in.vashishta.table.sio20.9
✓ passedvoronoi/in.voronoi5.3
✓ passedvoronoi/in.voronoi.2d0.6
✓ passedvoronoi/in.voronoi.data0.6
✓ passedwall/in.wall.block4.5
✓ passedwall/in.wall.ccl0.8
✓ passedwall/in.wall.diffusive0.8
✓ passedwall/in.wall.flow9.1
✓ passedwall/in.wall.harmonic.2d3.2
✓ passedwall/in.wall.harmonic.outside.2d2.3
✓ passedwall/in.wall.lepton0.7
✓ passedwall/in.wall.maxwell0.7
✓ passedwall/in.wall.specular1.0
✓ passedwall/in.wall.sphere2.6
✓ passedwall/in.wall.table0.6
◉ runtestyaml/in.yaml5.0
completed, error parsing log.yaml.1 into YAML