KOKKOS/OpenMP Regression — 2026-09-03T03-16-02Z_d71abe6102
Configuration: the regression inputs run through the KOKKOS package on its OpenMP host backend in the GitHub Actions build, against the same reference logs as the other suites · compared with the other configurations at this commit
395
Tests
127
Passed
165
Failed
40
Errors
48
Runtest
15
Skipped
48 test(s) are runtests. A "runtest" ran to completion but could not be checked against anything - there is no reference log file, or the run was a "-skiprun" dry run - so only the run itself was tested: it is neither passed nor skipped, and counted apart from both. What each of them lacks is counted under not really tested below.
| title | Kokkos OpenMP Regression Test |
| sha | d71abe6102c44577442ba7f03b7378a83166b9fd |
| branch | develop |
| generated | 2026-09-03T03:32:08Z |
| run_url | https://github.com/lammps/lammps/actions/runs/33710738992 |
| operating_system | OS: Linux "Ubuntu 24.04.4 LTS" 6.17.0-1022-azure x86_64 |
| git_info | Git info (develop / d71abe6) |
| compiler | Compiler: GNU C++ 13.3.0 with OpenMP 4.5 |
| compile_flags | -DLAMMPS_GZIP -DLAMMPS_SMALLBIG |
| config_file | config_kokkos_openmp.yaml |
| lmp_binary | /home/runner/work/lammps/lammps/build/lmp |
Changes vs 2026-09-03T01-29-35Z_8f283e3d3a
no changes vs previous run
Needs a fix in the examples tree (80)
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 (3)
PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBNthe run needs 78 s: a production sized run that should be shortened in the repositoryPACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbnthe run needs 77 s: a production sized run that should be shortened in the repositoryrdf-adf/in.spcethe run needs 83 s: a production sized run that should be shortened in the repository
reference log file matches no input (4)
rigid/in.rigid.cubes.multirunno reference log file matches this input, while log.rigid.cubes.langevin.2 in this folder match no input script at all: check the namessnap/in.snap.gridno reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the namessnap/in.snap.grid.triclinicno reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the namessnap/in.snap.scale.Ni_Zuo_JCPA2020no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
velocities depend on the MPI count (73)
PACKAGES/addtorque_group/in.addtorquevelocity create with the default "loop all" and atoms from create_atoms: cannot match log.10Sep2025.addtorque.g++.4, which was written with 4 MPI processes instead of 2PACKAGES/brownian/align_self/in.alignself_dipolevelocity 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 2PACKAGES/brownian/align_self/in.alignself_quatvelocity 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 2PACKAGES/cauchy/in.cauchystatvelocity create with the default "loop all" and atoms from create_atoms: cannot match log.2Jun2020.cauchystat.g++.1, which was written with 1 MPI processes instead of 2PACKAGES/dispersion/in.d2velocity 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 2PACKAGES/dispersion/in.d3velocity 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 2PACKAGES/dpd-basic/dpd/in.dpdvelocity 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 2PACKAGES/dpd-basic/dpdext/in.dpdextvelocity 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 2PACKAGES/edip/in.edip-Sivelocity create with the default "loop all" and atoms from create_atoms: cannot match log.4May2017.edip-Si.g++.4, which was written with 4 MPI processes instead of 2PACKAGES/edip/in.edip-Si-multivelocity create with the default "loop all" and atoms from create_atoms: cannot match log.4May2017.edip-Si-multi.g++.4, which was written with 4 MPI processes instead of 2PACKAGES/electron_stopping/in.cascade_AlCuvelocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Sep2020.cascade_AlCu.intel.4, which was written with 4 MPI processes instead of 2PACKAGES/electron_stopping/in.cascade_SiSivelocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Sep2020.cascade_SiSi.intel.4, which was written with 4 MPI processes instead of 2PACKAGES/electron_stopping/in.elstopvelocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Mar19.elstop.g++.4, which was written with 4 MPI processes instead of 2PACKAGES/hma/in.hmavelocity create with the default "loop all" and atoms from create_atoms: cannot match log.6Nov18.hma.g++.4, which was written with 4 MPI processes instead of 2; the run needs 94 s: a production sized ...PACKAGES/meam_spline/in.meam-spline.Sivelocity create with the default "loop all" and atoms from create_atoms: cannot match log.17Dec2022.meam-spline.Si.g++.4, which was written with 4 MPI processes instead of 2PACKAGES/meam_spline/in.meam-spline.TiO2velocity create with the default "loop all" and atoms from create_atoms: cannot match log.17Dec2022.meam-spline.TiO2.g++.4, which was written with 4 MPI processes instead of 2PACKAGES/moments/in.convergevelocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.converge.g++.4, which was written with 4 MPI processes instead of 2PACKAGES/moments/in.simplevelocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.simple.g++.4, which was written with 4 MPI processes instead of 2PACKAGES/moments/in.valtestvelocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.valtest.g++.4, which was written with 4 MPI processes instead of 2PACKAGES/pedone/in.pedone.meltvelocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Aug2026.pedone.melt.g++.4, which was written with 4 MPI processes instead of 2PACKAGES/shock/hugoniostat/in.hugoniostatvelocity 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 2PACKAGES/shock/msst/in.msstvelocity 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 2SPIN/cobalt_fcc/in.spin.cobalt_fccvelocity 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 2SPIN/cobalt_hcp/in.spin.cobalt_hcpvelocity 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 2SPIN/dipole_spin/in.spin.iron_dipole_cutvelocity 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 2SPIN/dipole_spin/in.spin.iron_dipole_ewaldvelocity 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 2SPIN/dipole_spin/in.spin.iron_dipole_pppmvelocity 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 2SPIN/iron/in.spin.ironvelocity 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 2SPIN/iron/in.spin.iron_cubicvelocity 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 2SPIN/nickel/in.spin.nickelvelocity 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 2SPIN/nickel/in.spin.nickel_cubicvelocity 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 2UNITS/in.ar.ljvelocity create with the default "loop all" and atoms from create_atoms: cannot match log.8Oct19.ar.lj.g++.4, which was written with 4 MPI processes instead of 2UNITS/in.ar.metalvelocity create with the default "loop all" and atoms from create_atoms: cannot match log.8Oct19.ar.metal.g++.4, which was written with 4 MPI processes instead of 2UNITS/in.ar.realvelocity create with the default "loop all" and atoms from create_atoms: cannot match log.8Oct19.ar.real.g++.4, which was written with 4 MPI processes instead of 2balance/in.balance.clock.dynamicvelocity 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 2balance/in.balance.clock.staticvelocity 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 2balance/in.balance.group.dynamicvelocity 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 2balance/in.balance.group.staticvelocity 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 2balance/in.balance.kspacevelocity 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 2balance/in.balance.neigh.dynamicvelocity 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 2balance/in.balance.neigh.rcbvelocity 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 2balance/in.balance.neigh.staticvelocity 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 2balance/in.balance.var.dynamicvelocity 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 2comb/in.comb.Cuvelocity 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 2comb/in.comb.Sivelocity 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 2comb/in.comb.Si.elasticvelocity 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 2crack/in.crackvelocity 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 2dipole/in.charge_dipolevelocity 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 2dipole/in.dipolevelocity 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 2flow/in.flow.couettevelocity 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- ... and 23 more
Worth investigating (61)
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 (9)
PACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_longdiffers in the very first thermo outputPACKAGES/dpd-basic/dpd_tstat/in.dpd_tstatdiffers in the very first thermo outputPACKAGES/ilves/in.polymeltdiffers in the very first thermo outputreaxff/in.reaxff.rdxdiffers in the very first thermo outputreaxff/water/in.water.acks2differs in the very first thermo outputreaxff/water/in.water.acks2.fielddiffers in the very first thermo outputrigid/in.rigid.dipolesdiffers in the very first thermo outputrigid/in.rigid.spheresdiffers in the very first thermo outputtemplate/in.mol-restart-mixdiffers in the very first thermo output
Differs within the first 200 steps (52)
ASPHERE/flat_membrane/in.flat_membranediffers from step 200 on (output row 1)ASPHERE/vesicle/in.vesiclediffers from step 200 on (output row 1)PACKAGES/baoab/in.baoab_ljdiffers from step 100 on (output row 1)PACKAGES/brownian/spherical_ABP/in.2d.abpdiffers from step 0 on (output row 51)PACKAGES/cnp/in.cnpdiffers from step 10 on (output row 1)PACKAGES/extep/in.extep-bndiffers from step 60 on (output row 6)PACKAGES/gle/in.h2o-quantumdiffers from step 100 on (output row 1)PACKAGES/gle/in.h2o-smartdiffers from step 100 on (output row 1)PACKAGES/ilves/in.cg-polymersdiffers from step 100 on (output row 1)PACKAGES/interlayer/drip/in.CH_dripdiffers from step 30 on (output row 3)PACKAGES/interlayer/ilp_tmds/in.mos2differs from step 100 on (output row 1)PACKAGES/interlayer/saip_metal_tmd/in.au_mos2differs from step 100 on (output row 1)PACKAGES/meam_sw_spline/Si/in.dc_relaxdiffers from step 136 on (output row 136)PACKAGES/meam_sw_spline/Ti/in.energy_conservation.meam.swdiffers from step 140 on (output row 14)PACKAGES/pedone/in.pedone.relaxdiffers from step 200 on (output row 2)PACKAGES/rhok/in.setupdiffers from step 100 on (output row 1)SPIN/read_restart/in.spin.write_restartdiffers from step 100 on (output row 1)charmmfsw/in.charmmfswdiffers from step 20 on (output row 2)controller/in.controller.tempdiffers from step 50 on (output row 1)coreshell/in.coreshelldiffers from step 50 on (output row 1)coreshell/in.coreshell.dsfdiffers from step 50 on (output row 1)coreshell/in.coreshell.thermostatsdiffers from step 50 on (output row 1)coreshell/in.coreshell.wolfdiffers from step 50 on (output row 1)deposit/in.deposit.atomdiffers from step 100 on (output row 1)deposit/in.deposit.moleculediffers from step 100 on (output row 1)deposit/in.deposit.molecule.rigid-nve-smalldiffers from step 100 on (output row 1)deposit/in.deposit.molecule.rigid-nvt-smalldiffers from step 100 on (output row 1)deposit/in.deposit.molecule.rigid-smalldiffers from step 100 on (output row 1)deposit/in.deposit.molecule.shakediffers from step 100 on (output row 1)eim/in.eimdiffers from step 50 on (output row 1)reaxff/AB/in.ABdiffers from step 100 on (output row 1)reaxff/AuO/in.AuOdiffers from step 5 on (output row 1)reaxff/CHO/in.CHOdiffers from step 100 on (output row 1)reaxff/FC/in.FCdiffers from step 11 on (output row 12)reaxff/FeOH3/in.FeOH3differs from step 100 on (output row 1)reaxff/HNS/in.reaxff.hnsdiffers from step 10 on (output row 1)reaxff/RDX/in.RDXdiffers from step 100 on (output row 1)reaxff/VOH/in.VOHdiffers from step 100 on (output row 1)reaxff/ZnOH2/in.ZnOH2differs from step 100 on (output row 1)reaxff/in.reaxff.tatbdiffers from step 10 on (output row 2)rigid/in.rigid.cubes.langevindiffers from step 200 on (output row 1)rigid/in.rigid.nvediffers from step 50 on (output row 1)rigid/in.rigid.nve.earlydiffers from step 50 on (output row 1)rigid/in.rigid.tnrdiffers from step 100 on (output row 1)snap/in.C_SNAPdiffers from step 50 on (output row 1)template/in.mol-data-mixdiffers from step 100 on (output row 1)ttm/in.ttmdiffers from step 100 on (output row 1)ttm/in.ttm.cascadediffers from step 100 on (output row 1)ttm/in.ttm.griddiffers from step 100 on (output row 1)ttm/in.ttm.moddiffers from step 100 on (output row 1)- ... and 2 more
Differs after 200 to 1000 steps (12)
PACKAGES/brownian/2d_velocity/in.2d.velocitydiffers from step 500 on (output row 1)PACKAGES/manybody_table/in.spcediffers from step 400 on (output row 4)PACKAGES/manybody_table/in.spce2differs from step 400 on (output row 4)PACKAGES/manybody_table/in.spce_swdiffers from step 1000 on (output row 10)PACKAGES/shock/nemd/in.nemddiffers from step 1000 on (output row 2)controller/in.controller.walldiffers from step 500 on (output row 1)fire/in.fire_moddiffers from step 800 on (output row 8)micelle/in.micellediffers from step 850 on (output row 38)nb3b/in.nb3b.screeneddiffers from step 700 on (output row 7)rdf-adf/in.spce.hbonddiffers from step 300 on (output row 3)rigid/in.rigid.cubes.nphdiffers from step 600 on (output row 3)rigid/in.rigid.cubes.nptdiffers from step 600 on (output row 3)
Differs only after 1000 steps, consistent with chaos (12)
PACKAGES/gjf/in.gjf.vfulldiffers from step 5000 on (output row 1), but the thermo output is too sparse to tell when it startedPACKAGES/gjf/in.gjf.vhalfdiffers from step 5000 on (output row 1), but the thermo output is too sparse to tell when it startedPACKAGES/pafi/in.pafidiffers from step 1100 on (output row 15)PACKAGES/rhok/in.crystaldiffers from step 2050 on (output row 41)PACKAGES/rhok/in.pinningdiffers from step 1250 on (output row 25)balance/in.balancediffers from step 6000 on (output row 60)balance/in.balance.bond.fastdiffers from step 2200 on (output row 22)cmap/in.cmapdiffers from step 11000 on (output row 11)ellipse/in.ellipse.gaybernediffers from step 2500 on (output row 26)ellipse/in.ellipse.resquareddiffers from step 3800 on (output row 39)replicate/in.replicate.bond.xdiffers from step 5000 on (output row 1), but the thermo output is too sparse to tell when it startedreplicate/in.replicate.bond.x.noloopdiffers from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
Not really tested (74)
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 (48)
| 21 | no reference log file, run as a crash test |
| 16 | log file could not be parsed |
| 6 | no thermo output to compare |
| 5 | no reference log file, not shortened |
○ skipped – Not run at all (15)
| 15 | excluded by the test configuration |
⚠ error – Could not run for a reason outside the code (11)
| 11 | package not installed |
All tests
| Status | Test | Time (s) | Details |
|---|---|---|---|
| ✗ failed | ASPHERE/flat_membrane/in.flat_membrane | 3.9 | completed, 2 abs diff and 2 rel diff checks failed differs from step 200 on (output row 1) |
| ⚠ error | ASPHERE/superellipsoid_gran/in.bowling | 1.4 | failed, no Total wall time in the output, [runnervmejwal:07581] *** Process received signal *** [runnervmejwal:07581] Signal: Segmentation fault (11) [runnervmejwal:07581] Signal code: Address not map ... |
| ⚠ error | ASPHERE/superellipsoid_gran/in.drop_test | 1.5 | failed, no Total wall time in the output, [runnervmgx7h7:07654] *** Process received signal *** [runnervmgx7h7:07653] *** Process received signal *** [runnervmgx7h7:07653] Signal: Segmentation fault ( ... |
| ⚠ error | ASPHERE/superellipsoid_gran/in.ellipsoid_gran | 1.5 | failed, no Total wall time in the output, [runnervmgx7h7:07833] *** Process received signal *** [runnervmgx7h7:07833] Signal: Segmentation fault (11) [runnervmgx7h7:07833] Signal code: Address not map ... |
| ⚠ error | ASPHERE/superellipsoid_gran/in.super_table | 1.4 | failed, no Total wall time in the output, [runnervmejwal:07581] *** Process received signal *** [runnervmejwal:07581] Signal: Segmentation fault (11) [runnervmejwal:07581] Signal code: Address not map ... |
| ✗ failed | ASPHERE/vesicle/in.vesicle | 3.9 | completed, 1 abs diff and 2 rel diff checks failed differs from step 200 on (output row 1) |
| ✗ failed | PACKAGES/addtorque_group/in.addtorque | 21.4 | completed, 3 abs diff and 4 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.10Sep2025.addtorque.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | PACKAGES/baoab/in.baoab_lj | 1.0 | completed, 8 abs diff and 8 rel diff checks failed differs from step 100 on (output row 1) |
| ✓ passed | PACKAGES/bondval/in.hexbto | 9.6 | |
| ✗ failed | PACKAGES/brownian/2d_velocity/in.2d.velocity | 0.7 | completed, 1 abs diff and 1 rel diff checks failed differs from step 500 on (output row 1) |
| ✗ failed | PACKAGES/brownian/align_self/in.alignself_dipole | 3.9 | 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 |
| ⚠ error | PACKAGES/brownian/align_self/in.alignself_quat | 2.7 | failed, ERROR: Cannot (yet) use fix propel/self/kk with option quat (src/KOKKOS/fix_propel_self_kokkos.cpp:63) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Dec25.alignself_quat.g++.4, which was written with 4 MPI processes instead of 2 |
| ✓ passed | PACKAGES/brownian/asphere/in.2d.ellipsoid | 1.2 | |
| ✓ passed | PACKAGES/brownian/asphere/in.3d.ellipsoid | 1.1 | |
| ✓ passed | PACKAGES/brownian/point/in.2d.point | 0.6 | |
| ✓ passed | PACKAGES/brownian/point/in.3d.point | 0.8 | |
| ✓ passed | PACKAGES/brownian/sphere/in.2d.sphere | 0.7 | |
| ✓ passed | PACKAGES/brownian/sphere/in.3d.sphere | 0.9 | |
| ✗ failed | PACKAGES/brownian/spherical_ABP/in.2d.abp | 4.6 | completed, 1 abs diff and 1 rel diff checks failed differs from step 0 on (output row 51) |
| ✓ passed | PACKAGES/brownian/spherical_ABP/in.3d.ideal_abp | 4.0 | |
| ✗ failed | PACKAGES/cauchy/in.cauchystat | 1.2 | completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.2Jun2020.cauchystat.g++.1, which was written with 1 MPI processes instead of 2 |
| ✓ passed | PACKAGES/cgspica/sds-monolayer/in.sds-regular | 2.8 | |
| ⚠ error | PACKAGES/class2xe/in.NVT_class2xe.script | 1.3 | failed, ERROR: Label maps are currently not supported with Kokkos (src/atom.cpp:2325) |
| ✗ failed | PACKAGES/cnp/in.cnp | 8.2 | completed, 8 abs diff and 5 rel diff checks failed differs from step 10 on (output row 1) |
| ⚠ error | PACKAGES/dielectric/in.confined.dof | 2.3 | failed, package not installed, ERROR: Unrecognized atom style 'dielectric' is part of the DIELECTRIC package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/dielectric/in.confined.gmres | 2.3 | failed, package not installed, ERROR: Unrecognized atom style 'dielectric' is part of the DIELECTRIC package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/dielectric/in.confined.icc | 1.3 | failed, package not installed, ERROR: Unrecognized atom style 'dielectric' is part of the DIELECTRIC package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/dielectric/in.nopbc.dof | 2.3 | failed, package not installed, ERROR: Unrecognized atom style 'dielectric' is part of the DIELECTRIC package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/dielectric/in.nopbc.gmres | 1.4 | failed, package not installed, ERROR: Unrecognized atom style 'dielectric' is part of the DIELECTRIC package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/dielectric/in.nopbc.icc | 2.3 | failed, package not installed, ERROR: Unrecognized atom style 'dielectric' is part of the DIELECTRIC package which is not enabled in this LAMMPS binary. |
| ✗ failed | PACKAGES/dispersion/in.d2 | 2.3 | completed, 4 abs diff and 4 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Dec2024.d2.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | PACKAGES/dispersion/in.d3 | 2.9 | completed, 4 abs diff and 4 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Dec2024.d3.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | PACKAGES/dpd-basic/dpd/in.dpd | 0.6 | 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 |
| ✗ failed | PACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long | 2.5 | completed, 4 abs diff and 4 rel diff checks failed differs in the very first thermo output |
| ✗ failed | PACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat | 4.3 | completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output |
| ✗ failed | PACKAGES/dpd-basic/dpdext/in.dpdext | 1.0 | completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.5Apr22.dpdext.g++.4, which was written with 4 MPI processes instead of 2 |
| ⚠ error | PACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat | 2.5 | failed, ERROR on proc 1: Non-numeric atom coords - simulation unstable |
| ⚠ error | PACKAGES/dpd-react/dpd-shardlow/in.dpd-shardlow | 2.3 | failed, ERROR: Must use pair_style dpd/fdt/energy/kk with fix shardlow/kk (src/KOKKOS/fix_shardlow_kokkos.cpp:93) |
| ◉ runtest | PACKAGES/dpd-react/dpd-vv/in.dpd-vv | 0.9 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/dpd-react/dpde-shardlow/in.dpde-shardlow | 0.5 | completed, numerical checks skipped due to missing the reference log file |
| ◉ runtest | PACKAGES/dpd-react/dpde-vv/in.dpde-vv | 1.2 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/dpd-react/dpdh-shardlow/in.dpdh-shardlow | 1.8 | completed, numerical checks skipped due to missing the reference log file |
| ⚠ error | PACKAGES/dpd-react/dpdp-shardlow/in.dpdp-shardlow | 2.3 | failed, ERROR: Must use pair_style dpd/fdt/energy/kk with fix shardlow/kk (src/KOKKOS/fix_shardlow_kokkos.cpp:93) |
| ○ skipped | PACKAGES/dpd-react/dpdrx-shardlow/in.dpdrx-shardlow | 0.0 | skipped as specified in the test configuration |
| ◉ runtest | PACKAGES/dpd-react/multi-lucy/in.multi-lucy | 0.8 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | PACKAGES/e3b/in.e3b-tip4p2005 | 3.2 | |
| ✗ failed | PACKAGES/edip/in.edip-Si | 0.4 | completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.4May2017.edip-Si.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | PACKAGES/edip/in.edip-Si-multi | 0.5 | completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.4May2017.edip-Si-multi.g++.4, which was written with 4 MPI processes instead of 2 |
| ✓ passed | PACKAGES/edip/in.edip-SiC | 0.3 | |
| ✓ passed | PACKAGES/ees/in.fix_wall | 0.9 | |
| ✓ passed | PACKAGES/ees/in.fix_wall_region | 1.1 | |
| ✗ failed | PACKAGES/electron_stopping/in.cascade_AlCu | 2.7 | completed, 2 abs diff and 0 rel diff checks failed differs from step 30 on (output row 6) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Sep2020.cascade_AlCu.intel.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | PACKAGES/electron_stopping/in.cascade_SiSi | 6.2 | completed, 2 abs diff and 0 rel diff checks failed differs from step 5 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Sep2020.cascade_SiSi.intel.4, which was written with 4 MPI processes instead of 2 |
| ✓ passed | PACKAGES/electron_stopping/in.elstop | 12.5 | velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Mar19.elstop.g++.4, which was written with 4 MPI processes instead of 2 |
| ✓ passed | PACKAGES/electron_stopping/in.elstop.only | 3.5 | |
| ◉ runtest | PACKAGES/entropy/in.entropy | 1.1 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ✗ failed | PACKAGES/extep/in.extep-bn | 0.5 | completed, 3 abs diff and 1 rel diff checks failed differs from step 60 on (output row 6) |
| ◉ runtest | PACKAGES/fep/C7inEthanol/fep01/in.insertion | 0.5 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/fep/C7inEthanol/fep10/in.deletion | 0.5 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/fep/CC-CO/fep01/in.fep01.lmp | 1.4 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/fep/CC-CO/fep10/in.fep10.lmp | 1.4 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/fep/CH4-CF4/bar01/in.bar01.lmp | 1.0 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/fep/CH4-CF4/bar10/in.bar10.lmp | 0.9 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/fep/CH4-CF4/fep01/in.fep01.lmp | 1.1 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/fep/CH4-CF4/fep10/in.fep10.lmp | 1.1 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/fep/CH4hyd/fdti01/in.fdti01.lmp | 2.1 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/fep/CH4hyd/fdti10/in.fdti10.lmp | 2.2 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/fep/CH4hyd/fep01/in.fep01.lmp | 1.6 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/fep/CH4hyd/fep10/in.fep10.lmp | 1.3 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/fep/ta/in.spce.lmp | 3.2 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ✓ passed | PACKAGES/flow_gauss/in.GD | 1.9 | |
| ✓ passed | PACKAGES/frenkel/in.frenkel | 2.1 | |
| ✗ failed | PACKAGES/gjf/in.gjf.vfull | 11.2 | completed, 6 abs diff and 6 rel diff checks failed differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started |
| ✗ failed | PACKAGES/gjf/in.gjf.vhalf | 11.6 | 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 |
| ✗ failed | PACKAGES/gle/in.h2o-quantum | 15.2 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | PACKAGES/gle/in.h2o-smart | 15.4 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ◉ runtest | PACKAGES/hma/in.hma | 93.6 | completed, but no Step nor Loop in the output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.6Nov18.hma.g++.4, which was written with 4 MPI processes instead of 2; the run needs 94 s: a production sized ... |
| ✗ failed | PACKAGES/ilves/in.cg-polymers | 2.2 | completed, 7 abs diff and 7 rel diff checks failed differs from step 100 on (output row 1) |
| ⚠ error | PACKAGES/ilves/in.covid | 1.4 | failed, ERROR: Label maps are currently not supported with Kokkos (src/atom.cpp:2325) |
| ◉ runtest | PACKAGES/ilves/in.dimer | 0.6 | completed, error parsing log.dimer.2 into YAML |
| ◉ runtest | PACKAGES/ilves/in.peptide-allbonds | 2.7 | completed, error parsing log.peptide-allbonds.2 into YAML |
| ◉ runtest | PACKAGES/ilves/in.peptide-fixed | 2.4 | completed, error parsing log.peptide-fixed.2 into YAML |
| ◉ runtest | PACKAGES/ilves/in.peptide-ilves | 2.4 | completed, error parsing log.peptide-ilves.2 into YAML |
| ◉ runtest | PACKAGES/ilves/in.peptide-mix | 2.0 | completed, error parsing log.peptide-mix.2 into YAML |
| ◉ runtest | PACKAGES/ilves/in.peptide-rattle | 1.9 | completed, error parsing log.peptide-rattle.2 into YAML |
| ◉ runtest | PACKAGES/ilves/in.peptide-shake | 2.3 | completed, error parsing log.peptide-shake.2 into YAML |
| ✗ failed | PACKAGES/ilves/in.polymelt | 13.8 | completed, 2 abs diff and 3 rel diff checks failed differs in the very first thermo output |
| ◉ runtest | PACKAGES/ilves/in.rhodo-allbonds | 23.9 | completed, error parsing log.rhodo-allbonds.2 into YAML |
| ◉ runtest | PACKAGES/ilves/in.rhodo-ilves | 16.1 | completed, error parsing log.rhodo-ilves.2 into YAML |
| ◉ runtest | PACKAGES/ilves/in.rhodo-shake | 24.2 | completed, error parsing log.rhodo-shake.2 into YAML |
| ✓ passed | PACKAGES/interlayer/aip_water_2dm/in.gr_water | 18.1 | |
| ✗ failed | PACKAGES/interlayer/drip/in.CH_drip | 1.1 | completed, 2 abs diff and 1 rel diff checks failed differs from step 30 on (output row 3) |
| ✓ passed | PACKAGES/interlayer/drip/in.C_drip | 1.5 | |
| ✓ passed | PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene | 31.5 | |
| ✓ passed | PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBN | 78.3 | the run needs 78 s: a production sized run that should be shortened in the repository |
| ✓ passed | PACKAGES/interlayer/ilp_graphene_hbn/in.grhBN | 44.1 | |
| ✓ passed | PACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn | 76.5 | the run needs 77 s: a production sized run that should be shortened in the repository |
| ✗ failed | PACKAGES/interlayer/ilp_tmds/in.mos2 | 18.8 | completed, 1 abs diff and 0 rel diff checks failed differs from step 100 on (output row 1) |
| ✓ passed | PACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphene | 34.5 | |
| ✓ passed | PACKAGES/interlayer/kolmogorov_crespi_z/in.atom-diffusion | 0.7 | |
| ✓ passed | PACKAGES/interlayer/kolmogorov_crespi_z/in.bilayer-graphene | 1.6 | |
| ✓ passed | PACKAGES/interlayer/saip_metal/in.gold_gr | 4.7 | |
| ✗ failed | PACKAGES/interlayer/saip_metal_tmd/in.au_mos2 | 36.2 | completed, 3 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) |
| ◉ runtest | PACKAGES/local_density/benzene_water/in.benzene_water | 26.2 | completed, but no Step nor Loop in the output |
| ◉ runtest | PACKAGES/local_density/methanol_implicit_water/in.methanol_implicit_water | 31.0 | completed, but no Step nor Loop in the output |
| ✗ failed | PACKAGES/manybody_table/in.spce | 2.3 | completed, 3 abs diff and 3 rel diff checks failed differs from step 400 on (output row 4) |
| ✗ failed | PACKAGES/manybody_table/in.spce2 | 2.1 | completed, 3 abs diff and 3 rel diff checks failed differs from step 400 on (output row 4) |
| ✗ failed | PACKAGES/manybody_table/in.spce_sw | 2.4 | completed, 1 abs diff and 0 rel diff checks failed differs from step 1000 on (output row 10) |
| ✗ failed | PACKAGES/meam_spline/in.meam-spline.Si | 1.3 | 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.17Dec2022.meam-spline.Si.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | PACKAGES/meam_spline/in.meam-spline.TiO2 | 41.6 | completed, 12 abs diff and 10 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.17Dec2022.meam-spline.TiO2.g++.4, which was written with 4 MPI processes instead of 2 |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.bcc | 0.3 | |
| ✗ failed | PACKAGES/meam_sw_spline/Si/in.bcc_relax | 0.4 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.dc | 0.3 | |
| ✗ failed | PACKAGES/meam_sw_spline/Si/in.dc_relax | 1.3 | completed, 0 abs diff and 2 rel diff checks failed differs from step 136 on (output row 136) |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.energy_conservation.meam.sw | 4.4 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.fcc | 0.3 | |
| ✗ failed | PACKAGES/meam_sw_spline/Si/in.fcc_relax | 0.4 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✗ failed | PACKAGES/meam_sw_spline/Si/in.hcp_relax | 2.1 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.sc | 0.3 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.sc_relax | 0.8 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.single_atom | 0.3 | |
| ✓ passed | PACKAGES/meam_sw_spline/Ti/in.alpha | 0.3 | |
| ✗ failed | PACKAGES/meam_sw_spline/Ti/in.alpha_relaxation | 0.8 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✓ passed | PACKAGES/meam_sw_spline/Ti/in.beta | 0.3 | |
| ✗ failed | PACKAGES/meam_sw_spline/Ti/in.energy_conservation.meam.sw | 43.8 | completed, 2 abs diff and 2 rel diff checks failed differs from step 140 on (output row 14) |
| ✓ passed | PACKAGES/meam_sw_spline/Ti/in.fcc | 0.3 | |
| ✓ passed | PACKAGES/meam_sw_spline/Ti/in.hexagonal | 0.3 | |
| ✓ passed | PACKAGES/meam_sw_spline/Ti/in.omega | 0.3 | |
| ✓ passed | PACKAGES/meam_sw_spline/Ti/in.single_atom | 0.3 | |
| ⚠ error | PACKAGES/mofff/in.hkust1 | 1.4 | failed, ERROR: Must use only Kokkos-enabled angle styles with angle_style hybrid/kk (src/KOKKOS/angle_hybrid_kokkos.cpp:204) |
| ⚠ error | PACKAGES/mofff/in.hkust1_long | 1.4 | failed, ERROR: Must use only Kokkos-enabled angle styles with angle_style hybrid/kk (src/KOKKOS/angle_hybrid_kokkos.cpp:204) |
| ✓ passed | PACKAGES/momb/in.system | 10.6 | |
| ✗ failed | PACKAGES/moments/in.converge | 10.2 | failed, thermo checks skipped due to mismatched number of steps in the log files velocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.converge.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | PACKAGES/moments/in.simple | 14.0 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.simple.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | PACKAGES/moments/in.valtest | 0.4 | completed, 1 abs diff and 1 rel diff checks failed differs from step 1 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.valtest.g++.4, which was written with 4 MPI processes instead of 2 |
| ◉ runtest | PACKAGES/momentum/in.momentum | 0.4 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ✓ passed | PACKAGES/mop/in.compute_stress_mop | 0.4 | |
| ✓ passed | PACKAGES/pace/compute/in.compute | 0.4 | |
| ✓ passed | PACKAGES/pace/in.pace.product | 3.1 | |
| ✓ passed | PACKAGES/pace/in.pace.recursive | 2.4 | |
| ✗ failed | PACKAGES/pafi/in.pafi | 3.0 | completed, 2 abs diff and 2 rel diff checks failed differs from step 1100 on (output row 15) |
| ✗ failed | PACKAGES/pedone/in.pedone.melt | 7.8 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Aug2026.pedone.melt.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | PACKAGES/pedone/in.pedone.relax | 11.3 | completed, 2 abs diff and 1 rel diff checks failed differs from step 200 on (output row 2) |
| ○ skipped | PACKAGES/phonon/1-1D-mono/in.disp | 0.0 | skipped as specified in the test configuration |
| ○ skipped | PACKAGES/phonon/2-1D-diatomic/in.disp | 0.0 | skipped as specified in the test configuration |
| ○ skipped | PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.disp | 0.0 | skipped as specified in the test configuration |
| ○ skipped | PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.disp2 | 0.0 | skipped as specified in the test configuration |
| ○ skipped | PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.dos | 0.0 | skipped as specified in the test configuration |
| ○ skipped | PACKAGES/phonon/4-Graphene/in.disp | 0.0 | skipped as specified in the test configuration |
| ○ skipped | PACKAGES/pod/InP/in.fitpod.InP | 0.0 | skipped as specified in the test configuration |
| ○ skipped | PACKAGES/pod/InP/in.pod.InP | 0.0 | skipped as specified in the test configuration |
| ◉ runtest | PACKAGES/pod/Ta/in.fitpod | 0.5 | completed, but no Step nor Loop in the output |
| ⚠ error | PACKAGES/pod/Ta/in.pod | 2.5 | failed, ERROR: Pair style pod/kk can currently only run on a single CPU thread (src/KOKKOS/pair_pod_kokkos.cpp:91) |
| ○ skipped | PACKAGES/pod/Ta/in.pod.compute | 0.0 | skipped as specified in the test configuration |
| ✓ passed | PACKAGES/relres/in.22DMH.real | 18.4 | |
| ⚠ error | PACKAGES/relres/in.22DMH.relres | 0.4 | failed, ERROR on proc 1: Bond atoms missing at step 4 (last OK: 2026-08-31T23-58-51Z_a77385e727) |
| ✗ failed | PACKAGES/rhok/in.crystal | 9.3 | completed, 2 abs diff and 2 rel diff checks failed differs from step 2050 on (output row 41) |
| ✗ failed | PACKAGES/rhok/in.pinning | 10.1 | completed, 2 abs diff and 2 rel diff checks failed differs from step 1250 on (output row 25) |
| ✗ failed | PACKAGES/rhok/in.setup | 7.8 | completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | PACKAGES/shock/hugoniostat/in.hugoniostat | 7.5 | completed, 2 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 4) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.08Feb21.hugoniostat.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | PACKAGES/shock/msst/in.msst | 3.0 | completed, 5 abs diff and 5 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.08Feb21.msst.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | PACKAGES/shock/nemd/in.nemd | 17.2 | completed, 14 abs diff and 14 rel diff checks failed differs from step 1000 on (output row 2) |
| ◉ runtest | PACKAGES/slater/in.slater | 9.5 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/sna_nnn_slcsa/in.slcsa | 16.1 | completed, error parsing log.slcsa.2 into YAML |
| ✓ passed | PACKAGES/stressprofile/in.cylinder | 2.3 | |
| ✓ passed | PACKAGES/stressprofile/in.flat | 1.8 | |
| ✓ passed | PACKAGES/stressprofile/in.sphere | 1.4 | |
| ◉ runtest | PACKAGES/ti/in.ti_spring | 0.5 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/tmd/in.tmd | 1.9 | completed, error parsing log.tmd.2 into YAML |
| ✓ passed | PACKAGES/uf3/in.uf3.Nb | 0.7 | |
| ◉ runtest | PACKAGES/yaff/mil53al/in.mil53a | 8.1 | completed, error parsing log.mil53a.2 into YAML |
| ◉ runtest | PACKAGES/yaff/mof5/in.mof5 | 2.8 | completed, error parsing log.mof5.2 into YAML |
| ✓ passed | SPIN/bfo/in.spin.bfo | 4.3 | |
| ✗ failed | SPIN/cobalt_fcc/in.spin.cobalt_fcc | 2.3 | completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.cobalt_fcc.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | SPIN/cobalt_hcp/in.spin.cobalt_hcp | 2.4 | completed, 4 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.cobalt_hcp.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | SPIN/dipole_spin/in.spin.iron_dipole_cut | 2.7 | completed, 1 abs diff and 1 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.iron_dipole_cut.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | SPIN/dipole_spin/in.spin.iron_dipole_ewald | 6.6 | completed, 1 abs diff and 1 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.iron_dipole_ewald.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | SPIN/dipole_spin/in.spin.iron_dipole_pppm | 4.8 | 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 |
| ✗ failed | SPIN/iron/in.spin.iron | 1.5 | completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.iron.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | SPIN/iron/in.spin.iron_cubic | 1.7 | completed, 1 abs diff and 1 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.iron_cubic.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | SPIN/nickel/in.spin.nickel | 3.0 | completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.nickel.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | SPIN/nickel/in.spin.nickel_cubic | 3.1 | completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.nickel_cubic.g++.4, which was written with 4 MPI processes instead of 2 |
| ✓ passed | SPIN/read_restart/in.spin.read_data | 2.3 | |
| ✓ passed | SPIN/read_restart/in.spin.restart | 0.8 | |
| ✗ failed | SPIN/read_restart/in.spin.write_restart | 1.5 | completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) |
| ○ skipped | SPIN/test_problems/validation_nve/in.spin.iron-nve | 0.0 | skipped as specified in the test configuration |
| ○ skipped | SPIN/test_problems/validation_nvt/in.spin.nvt_lattice | 0.0 | skipped as specified in the test configuration |
| ○ skipped | SPIN/test_problems/validation_nvt/in.spin.nvt_spin | 0.0 | skipped as specified in the test configuration |
| ✗ failed | UNITS/in.ar.lj | 0.3 | completed, 3 abs diff and 3 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.8Oct19.ar.lj.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | UNITS/in.ar.metal | 0.3 | completed, 3 abs diff and 3 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.8Oct19.ar.metal.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | UNITS/in.ar.real | 0.3 | completed, 3 abs diff and 3 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.8Oct19.ar.real.g++.4, which was written with 4 MPI processes instead of 2 |
| ✓ passed | airebo/in.airebo | 31.1 | |
| ✓ passed | airebo/in.airebo-0-0 | 3.6 | |
| ✓ passed | airebo/in.airebo-bc | 32.5 | |
| ✓ passed | airebo/in.airebo-m | 25.6 | |
| ✓ passed | airebo/in.rebo2 | 2.6 | |
| ✓ passed | atm/in.atm | 7.0 | |
| ✗ failed | balance/in.balance | 1.8 | completed, 2 abs diff and 2 rel diff checks failed differs from step 6000 on (output row 60) |
| ✗ failed | balance/in.balance.bond.fast | 1.9 | completed, 2 abs diff and 2 rel diff checks failed differs from step 2200 on (output row 22) |
| ✓ passed | balance/in.balance.bond.slow | 6.4 | |
| ✗ failed | balance/in.balance.clock.dynamic | 5.7 | completed, 11 abs diff and 12 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.clock.dynamic.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | balance/in.balance.clock.static | 2.7 | completed, 9 abs diff and 9 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.clock.static.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | balance/in.balance.group.dynamic | 1.1 | completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.group.dynamic.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | balance/in.balance.group.static | 1.3 | 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.group.static.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | balance/in.balance.kspace | 3.3 | completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.kspace.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | balance/in.balance.neigh.dynamic | 7.8 | completed, 11 abs diff and 12 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.neigh.dynamic.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | balance/in.balance.neigh.rcb | 1.8 | completed, 6 abs diff and 6 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.neigh.rcb.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | balance/in.balance.neigh.static | 4.1 | completed, 14 abs diff and 15 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.neigh.static.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | balance/in.balance.var.dynamic | 9.6 | 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.var.dynamic.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | charmmfsw/in.charmmfsw | 7.3 | completed, 2 abs diff and 0 rel diff checks failed differs from step 20 on (output row 2) |
| ✗ failed | cmap/in.cmap | 12.3 | completed, 1 abs diff and 1 rel diff checks failed differs from step 11000 on (output row 11) |
| ✗ failed | comb/in.comb.Cu | 0.4 | completed, 2 abs diff and 2 rel diff checks failed differs from step 1 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.comb.Cu.g++.4, which was written with 4 MPI processes instead of 2 |
| ✓ passed | comb/in.comb.Cu2O.elastic | 8.1 | |
| ✓ passed | comb/in.comb.HfO2 | 2.8 | |
| ✗ failed | comb/in.comb.Si | 0.4 | 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 |
| ✗ failed | comb/in.comb.Si.elastic | 0.8 | 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.comb.Si.elastic.g++.4, which was written with 4 MPI processes instead of 2 |
| ✓ passed | comb/in.comb3 | 7.2 | |
| ✗ failed | controller/in.controller.temp | 4.3 | completed, 6 abs diff and 6 rel diff checks failed differs from step 50 on (output row 1) |
| ✗ failed | controller/in.controller.wall | 9.6 | completed, 2 abs diff and 2 rel diff checks failed differs from step 500 on (output row 1) |
| ✗ failed | coreshell/in.coreshell | 5.8 | completed, 8 abs diff and 9 rel diff checks failed differs from step 50 on (output row 1) |
| ✗ failed | coreshell/in.coreshell.dsf | 6.6 | completed, 10 abs diff and 10 rel diff checks failed differs from step 50 on (output row 1) |
| ✗ failed | coreshell/in.coreshell.thermostats | 7.6 | completed, 13 abs diff and 14 rel diff checks failed differs from step 50 on (output row 1) |
| ✗ failed | coreshell/in.coreshell.wolf | 6.4 | completed, 10 abs diff and 10 rel diff checks failed differs from step 50 on (output row 1) |
| ✓ passed | crack/in.crack | 3.5 | 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 |
| ✗ failed | deposit/in.deposit.atom | 4.3 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | deposit/in.deposit.molecule | 5.5 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | deposit/in.deposit.molecule.rigid-nve-small | 6.5 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | deposit/in.deposit.molecule.rigid-nvt-small | 5.7 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | deposit/in.deposit.molecule.rigid-small | 6.7 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | deposit/in.deposit.molecule.shake | 5.3 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | dipole/in.charge_dipole | 13.1 | completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.26Jun26.charge_dipole.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | dipole/in.dipole | 0.8 | 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 |
| ✗ failed | eim/in.eim | 2.5 | completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1) |
| ✗ failed | ellipse/in.ellipse.gayberne | 1.3 | completed, 2 abs diff and 2 rel diff checks failed differs from step 2500 on (output row 26) |
| ✗ failed | ellipse/in.ellipse.resquared | 2.2 | completed, 0 abs diff and 2 rel diff checks failed differs from step 3800 on (output row 39) |
| ✗ failed | fire/in.abcfire | 1.0 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✗ failed | fire/in.abcfire_mod | 1.9 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✗ failed | fire/in.cg | 0.7 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✗ failed | fire/in.fire | 0.8 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✗ failed | fire/in.fire_mod | 0.7 | completed, 5 abs diff and 6 rel diff checks failed differs from step 800 on (output row 8) |
| ✓ passed | fire/in.meam.abcfire | 19.2 | |
| ✓ passed | fire/in.meam.fire | 28.8 | |
| ✗ failed | flow/in.flow.couette | 1.7 | 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 |
| ✗ failed | flow/in.flow.pois | 1.8 | completed, 2 abs diff and 2 rel diff checks failed differs from step 3500 on (output row 7) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.flow.pois.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | friction/in.friction | 4.7 | completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.friction.g++.4, which was written with 4 MPI processes instead of 2 |
| ⚠ error | granregion/in.granregion.box | 2.3 | failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60) |
| ⚠ error | granular/in.pour.drum | 2.3 | failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60) |
| ⚠ error | granular/in.pour.flatwall | 2.3 | failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60) |
| ⚠ error | granular/in.pour.heat | 1.3 | failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60) |
| ✓ passed | granular/in.restitution | 11.2 | |
| ⚠ error | granular/in.sync_verlet | 2.3 | failed, ERROR: Illegal wall/gran command, unrecognized damping model (src/KOKKOS/fix_wall_gran_old.cpp:203) |
| ✓ passed | granular/in.tableting.200 | 22.3 | |
| ✓ passed | granular/in.triaxial.compaction.12 | 1.3 | |
| ✓ passed | grid/in.grid.2d | 0.4 | |
| ✓ passed | grid/in.grid.3d | 0.8 | |
| ✗ failed | indent/in.indent | 9.8 | completed, 6 abs diff and 6 rel diff checks failed differs from step 16000 on (output row 16) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.indent.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | indent/in.indent.min | 0.6 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✓ passed | kim/in.lammps.melt | 1.0 | |
| ✓ passed | meam/in.meam | 0.8 | |
| ✗ failed | meam/in.meam.shear | 26.4 | completed, 4 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.meam.shear.g++.4, which was written with 4 MPI processes instead of 2 |
| ✓ passed | meam/msmeam/in.msmeam | 0.3 | |
| ✓ passed | melt/in.melt | 0.6 | |
| ✗ failed | mesh/in.marble_race | 138.7 | 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; the run needs 139 s: a product ... |
| ✗ failed | mesh/in.mesh_box | 5.7 | completed, 3 abs diff and 3 rel diff checks failed differs from step 200 on (output row 2) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11May22.mesh_box.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | micelle/in.micelle | 0.9 | completed, 0 abs diff and 2 rel diff checks failed differs from step 850 on (output row 38) |
| ⚠ error | micelle/in.micelle-rigid | 1.6 | failed, ERROR: fix rigid/small/kk does not yet support 2d systems (src/KOKKOS/fix_rigid_small_kokkos.cpp:189) |
| ✗ failed | min/in.min | 0.7 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✗ failed | min/in.min.box | 3.8 | 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 |
| ⚠ error | mliap/in.mliap.nn.Ta06A | 2.3 | failed, package not installed, ERROR: Unrecognized pair style 'mliap' is part of the ML-IAP package which is not enabled in this LAMMPS binary. |
| ○ skipped | mliap/in.mliap.pytorch.Ta06A | 0.0 | skipped as specified in the test configuration |
| ○ skipped | mliap/in.mliap.pytorch.relu1hidden | 0.0 | skipped as specified in the test configuration |
| ⚠ error | mliap/in.mliap.snap.Ta06A | 1.3 | failed, package not installed, ERROR: Unrecognized pair style 'mliap' is part of the ML-IAP package which is not enabled in this LAMMPS binary. |
| ⚠ error | mliap/in.mliap.snap.WBe.PRB2019 | 1.3 | failed, package not installed, ERROR: Unrecognized pair style 'mliap' is part of the ML-IAP package which is not enabled in this LAMMPS binary. |
| ⚠ error | mliap/in.mliap.snap.chem | 1.3 | failed, package not installed, ERROR: Unrecognized pair style 'mliap' is part of the ML-IAP package which is not enabled in this LAMMPS binary. |
| ⚠ error | mliap/in.mliap.snap.quadratic | 1.3 | failed, package not installed, ERROR: Unrecognized pair style 'mliap' is part of the ML-IAP package which is not enabled in this LAMMPS binary. |
| ✗ failed | nb3b/in.nb3b.screened | 22.5 | completed, 4 abs diff and 4 rel diff checks failed differs from step 700 on (output row 7) |
| ✓ passed | nemd/in.nemd | 0.5 | |
| ✗ failed | numdiff/in.numdiff | 3.5 | completed, 3 abs diff and 3 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.19Feb2022.numdiff.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | obstacle/in.obstacle | 3.8 | 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.27Nov18.obstacle.g++.4, which was written with 4 MPI processes instead of 2 |
| ◉ runtest | peptide/in.peptide | 2.0 | completed, error parsing log.peptide.2 into YAML |
| ⚠ error | pour/in.pour | 2.3 | failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60) |
| ⚠ error | pour/in.pour.2d | 1.3 | failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60) |
| ⚠ error | pour/in.pour.2d.molecule | 1.3 | failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60) |
| ⚠ error | python/in.python | 1.3 | failed, ERROR: LAMMPS is not built with Python embedded (src/variable.cpp:1005) |
| ⚠ error | python/in.python.wrap | 2.3 | failed, ERROR: LAMMPS is not built with Python embedded (src/variable.cpp:660) |
| ✓ passed | qeq/in.qeq.reaxff | 0.4 | |
| ✗ failed | rdf-adf/in.spce | 83.4 | completed, 6 abs diff and 5 rel diff checks failed differs from step 100 on (output row 1) the run needs 83 s: a production sized run that should be shortened in the repository |
| ✗ failed | rdf-adf/in.spce.hbond | 36.9 | completed, 5 abs diff and 4 rel diff checks failed differs from step 300 on (output row 3) |
| ✗ failed | reaxff/AB/in.AB | 5.9 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | reaxff/AuO/in.AuO | 5.2 | completed, 1 abs diff and 1 rel diff checks failed differs from step 5 on (output row 1) |
| ✗ failed | reaxff/CHO/in.CHO | 7.0 | completed, 3 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | reaxff/FC/in.FC | 7.0 | completed, 1 abs diff and 0 rel diff checks failed differs from step 11 on (output row 12) |
| ✗ failed | reaxff/FeOH3/in.FeOH3 | 5.1 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | reaxff/HNS/in.reaxff.hns | 9.3 | completed, 1 abs diff and 1 rel diff checks failed differs from step 10 on (output row 1) |
| ✗ failed | reaxff/RDX/in.RDX | 7.8 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | reaxff/VOH/in.VOH | 6.0 | completed, 3 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | reaxff/ZnOH2/in.ZnOH2 | 1.4 | completed, 2 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1) |
| ✓ passed | reaxff/ci-reaxFF/in.ci-reax.CH | 10.2 | |
| ✗ failed | reaxff/in.reaxff.rdx | 0.6 | completed, 3 abs diff and 2 rel diff checks failed differs in the very first thermo output |
| ✗ failed | reaxff/in.reaxff.tatb | 1.3 | completed, 1 abs diff and 1 rel diff checks failed differs from step 10 on (output row 2) |
| ✗ failed | reaxff/water/in.water.acks2 | 3.6 | completed, 1 abs diff and 0 rel diff checks failed differs in the very first thermo output |
| ✗ failed | reaxff/water/in.water.acks2.field | 4.2 | completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output |
| ✓ passed | reaxff/water/in.water.qeq | 2.5 | |
| ✓ passed | reaxff/water/in.water.qeq.field | 1.9 | |
| ✓ passed | reaxff/water/in.water.qeqr | 3.2 | |
| ✓ passed | reaxff/water/in.water.qeqr.field | 2.9 | |
| ✓ passed | reaxff/water/in.water.qtpie | 3.8 | |
| ✓ passed | reaxff/water/in.water.qtpie.field | 3.8 | |
| ✗ failed | replicate/in.replicate.bond.x | 1.2 | completed, 3 abs diff and 3 rel diff checks failed differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started |
| ✗ failed | replicate/in.replicate.bond.x.noloop | 1.2 | completed, 3 abs diff and 3 rel diff checks failed differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started |
| ✓ passed | replicate/in.replicate.bond.x.y | 1.4 | |
| ✓ passed | replicate/in.replicate.bond.xy | 1.0 | |
| ✓ passed | replicate/in.replicate.cnt | 3.8 | |
| ✓ passed | rigid/in.rigid | 1.6 | |
| ✓ passed | rigid/in.rigid.atomfile | 1.4 | |
| ✓ passed | rigid/in.rigid.atomvar | 1.4 | |
| ✓ passed | rigid/in.rigid.cubes | 1.2 | |
| ✓ passed | rigid/in.rigid.cubes.gravity | 1.4 | |
| ✗ failed | rigid/in.rigid.cubes.langevin | 1.2 | completed, 3 abs diff and 3 rel diff checks failed differs from step 200 on (output row 1) |
| ◉ runtest | rigid/in.rigid.cubes.multirun | 0.4 | 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.rigid.cubes.langevin.2 in this folder match no input script at all: check the names |
| ✗ failed | rigid/in.rigid.cubes.nph | 1.7 | completed, 0 abs diff and 4 rel diff checks failed differs from step 600 on (output row 3) |
| ✗ failed | rigid/in.rigid.cubes.npt | 1.7 | completed, 0 abs diff and 4 rel diff checks failed differs from step 600 on (output row 3) |
| ✓ passed | rigid/in.rigid.cubes.nve | 1.5 | |
| ✓ passed | rigid/in.rigid.cubes.nvt | 1.5 | |
| ✓ passed | rigid/in.rigid.cubes.partial | 0.8 | |
| ✓ passed | rigid/in.rigid.cubes.tri | 1.4 | |
| ✗ failed | rigid/in.rigid.dipoles | 0.7 | completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output |
| ✓ passed | rigid/in.rigid.early | 1.3 | |
| ✓ passed | rigid/in.rigid.ellipsoids | 0.7 | |
| ⚠ error | rigid/in.rigid.gravity | 1.3 | failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60) |
| ✓ passed | rigid/in.rigid.infile | 1.6 | |
| ✓ passed | rigid/in.rigid.molecule | 1.6 | |
| ✗ failed | rigid/in.rigid.nve | 1.6 | completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) |
| ✗ failed | rigid/in.rigid.nve.early | 1.3 | completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) |
| ✓ passed | rigid/in.rigid.property | 1.3 | |
| ✓ passed | rigid/in.rigid.small | 2.4 | |
| ✓ passed | rigid/in.rigid.small.infile | 2.5 | |
| ✗ failed | rigid/in.rigid.spheres | 0.7 | completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output |
| ✗ failed | rigid/in.rigid.tnr | 11.8 | completed, 28 abs diff and 28 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | shear/in.shear | 2.2 | 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 |
| ✗ failed | shear/in.shear.void | 2.4 | completed, 5 abs diff and 4 rel diff checks failed differs from step 25 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.shear.void.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | snap/in.C_SNAP | 7.7 | completed, 4 abs diff and 4 rel diff checks failed differs from step 50 on (output row 1) |
| ✓ passed | snap/in.gaussian.grid | 0.3 | |
| ✓ passed | snap/in.snap.InP.JCPA2020 | 6.9 | |
| ✓ passed | snap/in.snap.Mo_Chen | 0.8 | |
| ✓ passed | snap/in.snap.Ta06A | 0.6 | |
| ✓ passed | snap/in.snap.W.2940 | 1.2 | |
| ✓ passed | snap/in.snap.WBe.PRB2019 | 1.8 | |
| ◉ runtest | snap/in.snap.compute | 0.3 | completed, but no Step nor Loop in the output |
| ◉ runtest | snap/in.snap.compute.quadratic | 0.3 | completed, but no Step nor Loop in the output |
| ◉ runtest | snap/in.snap.grid | 0.3 | completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names |
| ◉ runtest | snap/in.snap.grid.triclinic | 0.3 | completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names |
| ✓ passed | snap/in.snap.hybrid.WSNAP.HePair | 1.6 | |
| ◉ runtest | snap/in.snap.scale.Ni_Zuo_JCPA2020 | 1.4 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names |
| ✓ passed | steinhardt/in.bcc | 0.3 | |
| ✓ passed | steinhardt/in.fcc | 0.3 | |
| ✗ failed | steinhardt/in.icos | 2.0 | 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 |
| ✗ failed | stress_vcm/in.stress_vcm | 9.0 | 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 |
| ✗ failed | template/in.mol-data-mix | 5.7 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | template/in.mol-restart-mix | 17.9 | completed, 8 abs diff and 8 rel diff checks failed differs in the very first thermo output |
| ✗ failed | template/in.molecular-mix | 10.6 | completed, 5 abs diff and 5 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.22Oct20.molecular-mix.g++.4, which was written with 4 MPI processes instead of 2 |
| ⚠ error | template/in.tmpl-restart-mix | 2.3 | failed, ERROR: KOKKOS package requires a Kokkos-enabled atom_style (src/KOKKOS/atom_kokkos.cpp:610) |
| ⚠ error | tersoff/in.hBN_shift | 2.3 | failed, ERROR: Keyword 'shift' not supported for this style (src/MANYBODY/pair_tersoff.cpp:362) |
| ⚠ error | tersoff/in.tersoff | 1.5 | failed, ERROR: Keyword 'shift' not supported for this style (src/MANYBODY/pair_tersoff.cpp:362) |
| ✓ passed | threebody/in.mos2-bulk | 0.4 | |
| ✓ passed | threebody/in.mos2.rebomos | 8.1 | |
| ✓ passed | threebody/in.mos2.sw.mod | 1.8 | |
| ✓ passed | threebody/in.threebody | 0.9 | |
| ✓ passed | triclinic/in.bcc.orthog | 0.3 | |
| ✓ passed | triclinic/in.bcc.primitive | 0.3 | |
| ✓ passed | triclinic/in.data.general | 0.3 | |
| ✓ passed | triclinic/in.fcc.orthog | 0.3 | |
| ✓ passed | triclinic/in.fcc.primitive | 0.3 | |
| ✓ passed | triclinic/in.hex.orthog | 0.3 | |
| ✓ passed | triclinic/in.hex.primitive | 0.3 | |
| ✓ passed | triclinic/in.sq2.orthog | 0.3 | |
| ✓ passed | triclinic/in.sq2.primitive | 0.3 | |
| ✗ failed | ttm/in.ttm | 8.1 | completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | ttm/in.ttm.cascade | 14.7 | completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | ttm/in.ttm.grid | 9.2 | completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | ttm/in.ttm.mod | 2.6 | completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | ttm/in.ttm.thermal | 7.9 | completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) |
| ✓ passed | vashishta/in.vashishta.sio2 | 0.6 | |
| ✓ passed | vashishta/in.vashishta.table.sio2 | 0.7 | |
| ✗ failed | wall/in.wall.block | 2.8 | 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 |
| ✗ failed | wall/in.wall.ccl | 1.4 | completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.ccl.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | wall/in.wall.diffusive | 1.4 | completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.diffusive.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | wall/in.wall.flow | 4.2 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.wall.flow.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | wall/in.wall.harmonic.2d | 3.9 | 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.2d.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | wall/in.wall.harmonic.outside.2d | 3.9 | 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 |
| ✗ failed | wall/in.wall.maxwell | 1.4 | completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.maxwell.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | wall/in.wall.specular | 1.7 | completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.specular.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | wall/in.wall.sphere | 1.9 | 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 |
| ✗ failed | wall/in.wall.table | 0.5 | completed, 2 abs diff and 2 rel diff checks failed differs from step 0 on (output row 78) |
| ◉ runtest | yaml/in.yaml | 1.7 | completed, error parsing log.yaml.2 into YAML |