KOKKOS/OpenMP Regression — 2026-09-23T21-51-23Z_a0ab09d5bb
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
149
Passed
151
Failed
36
Errors
44
Runtest
15
Skipped
44 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 | a0ab09d5bb9972a71f2f89f945dab8f4bc263fb3 |
| branch | develop |
| generated | 2026-09-23T22:40:46Z |
| run_url | https://github.com/lammps/lammps/actions/runs/35924969925 |
| operating_system | OS: Linux "Ubuntu 24.04.5 LTS" 6.17.0-1022-azure x86_64 |
| git_info | Git info (develop / a0ab09d) |
| 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 2026-09-23T21-39-12Z_e0df0de546
no changes vs previous run
Needs a fix in the examples tree (61)
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 (5)
PACKAGES/hma/in.hmathe run needs 97 s: a production sized run that should be shortened in the repositoryPACKAGES/interlayer/ilp_graphene_hbn/in.grhBNthe run needs 70 s: a production sized run that should be shortened in the repositoryPACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbnthe run needs 96 s: a production sized run that should be shortened in the repositoryPACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphenethe run needs 92 s: a production sized run that should be shortened in the repositoryrdf-adf/in.spcethe run needs 65 s: a production sized run that should be shortened in the repository
velocities depend on the MPI count (56)
PACKAGES/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/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/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 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 2flow/in.flow.poisvelocity 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 2friction/in.frictionvelocity 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 2indent/in.indentvelocity 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 2meam/in.meam.shearvelocity 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 2mesh/in.marble_racevelocity 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 138 s: a product ...mesh/in.mesh_boxvelocity 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 2min/in.min.boxvelocity 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 2numdiff/in.numdiffvelocity 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 2obstacle/in.obstaclevelocity 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 2shear/in.shearvelocity 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 2shear/in.shear.voidvelocity 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 2steinhardt/in.icosvelocity 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 2stress_vcm/in.stress_vcmvelocity 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 2template/in.molecular-mixvelocity 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 2wall/in.wall.blockvelocity 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 2wall/in.wall.cclvelocity 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 2wall/in.wall.diffusivevelocity 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- ... and 6 more
Worth investigating (59)
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 (13)
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/dpd-basic/dpdext_tstat/in.dpdext_tstatdiffers in the very first thermo outputPACKAGES/edip/in.edip-Sidiffers in the very first thermo outputPACKAGES/edip/in.edip-Si-multidiffers 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.cubes.gravitydiffers 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 (46)
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/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)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)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.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)ttm/in.ttm.thermaldiffers from step 100 on (output row 1)
Differs after 200 to 1000 steps (13)
PACKAGES/addtorque_group/in.addtorquediffers from step 1000 on (output row 1)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/pedone/in.pedone.meltdiffers from step 400 on (output row 4)PACKAGES/shock/nemd/in.nemddiffers from step 1000 on (output row 2)controller/in.controller.walldiffers from step 500 on (output row 1)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 (13)
PACKAGES/cauchy/in.cauchystatdiffers from step 1900 on (output row 20)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 9000 on (output row 9)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 (70)
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 (44)
| 19 | no reference log file, run as a crash test |
| 16 | log file could not be parsed |
| 6 | no thermo output to compare |
| 3 | 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 | 1.3 | failed, ERROR: Atom style ellipsoid/kk does not support the superellipsoid option (src/KOKKOS/atom_vec_ellipsoid_kokkos.cpp:70) |
| ⚠ error | ASPHERE/superellipsoid_gran/in.drop_test | 2.3 | failed, ERROR: Atom style ellipsoid/kk does not support the superellipsoid option (src/KOKKOS/atom_vec_ellipsoid_kokkos.cpp:70) |
| ⚠ error | ASPHERE/superellipsoid_gran/in.ellipsoid_gran | 2.3 | failed, ERROR: Atom style ellipsoid/kk does not support the superellipsoid option (src/KOKKOS/atom_vec_ellipsoid_kokkos.cpp:70) |
| ⚠ error | ASPHERE/superellipsoid_gran/in.super_table | 2.3 | failed, ERROR: Atom style ellipsoid/kk does not support the superellipsoid option (src/KOKKOS/atom_vec_ellipsoid_kokkos.cpp:70) |
| ✗ failed | ASPHERE/vesicle/in.vesicle | 3.8 | completed, 1 abs diff and 2 rel diff checks failed differs from step 200 on (output row 1) |
| ✗ failed | PACKAGES/addtorque_group/in.addtorque | 28.3 | completed, 3 abs diff and 4 rel diff checks failed differs from step 1000 on (output row 1) |
| ✗ 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 | 9.8 | |
| ✗ 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 | 4.0 | completed, 6 abs diff and 6 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Dec25.alignself_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 | 1.3 | |
| ✓ passed | PACKAGES/brownian/asphere/in.3d.ellipsoid | 0.9 | |
| ✓ passed | PACKAGES/brownian/point/in.2d.point | 0.7 | |
| ✓ passed | PACKAGES/brownian/point/in.3d.point | 0.9 | |
| ✓ passed | PACKAGES/brownian/sphere/in.2d.sphere | 0.7 | |
| ✓ passed | PACKAGES/brownian/sphere/in.3d.sphere | 1.1 | |
| ✗ failed | PACKAGES/brownian/spherical_ABP/in.2d.abp | 4.5 | 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 | 3.5 | |
| ✗ failed | PACKAGES/cauchy/in.cauchystat | 1.5 | completed, 1 abs diff and 1 rel diff checks failed differs from step 1900 on (output row 20) |
| ✓ passed | PACKAGES/cgspica/sds-monolayer/in.sds-regular | 3.3 | |
| ⚠ error | PACKAGES/class2xe/in.NVT_class2xe.script | 2.3 | failed, ERROR: Label maps are currently not supported with Kokkos (src/atom.cpp:2325) |
| ✓ passed | PACKAGES/cnp/in.cnp | 14.6 | |
| ⚠ 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 | 1.3 | 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.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 | 1.9 | 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.d2.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | PACKAGES/dispersion/in.d3 | 4.7 | completed, 4 abs diff and 4 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Dec2024.d3.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | PACKAGES/dpd-basic/dpd/in.dpd | 0.7 | 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 | 2.6 | 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 | 5.1 | 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 |
| ✗ failed | PACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat | 13.3 | completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output |
| ⚠ error | PACKAGES/dpd-react/dpd-shardlow/in.dpd-shardlow | 1.3 | 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 | 1.1 | 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 | 0.9 | 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 | 1.9 | 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 | 1.2 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | PACKAGES/e3b/in.e3b-tip4p2005 | 2.9 | |
| ✗ failed | PACKAGES/edip/in.edip-Si | 0.5 | completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output |
| ✗ 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 |
| ✓ passed | PACKAGES/edip/in.edip-SiC | 0.4 | |
| ✓ passed | PACKAGES/ees/in.fix_wall | 0.8 | |
| ✓ passed | PACKAGES/ees/in.fix_wall_region | 0.8 | |
| ✓ passed | PACKAGES/electron_stopping/in.cascade_AlCu | 2.7 | |
| ✓ passed | PACKAGES/electron_stopping/in.cascade_SiSi | 6.1 | |
| ✓ passed | PACKAGES/electron_stopping/in.elstop | 10.9 | |
| ✓ passed | PACKAGES/electron_stopping/in.elstop.only | 1.6 | |
| ◉ 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 | 0.6 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/fep/C7inEthanol/fep10/in.deletion | 0.6 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/fep/CC-CO/fep01/in.fep01.lmp | 1.5 | 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 | 1.5 | 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 | 1.0 | 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 | 1.0 | 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 | 2.7 | 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 | 2.7 | 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 | 1.9 | 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 | 1.9 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/fep/ta/in.spce.lmp | 3.1 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ✓ passed | PACKAGES/flow_gauss/in.GD | 2.1 | |
| ✓ passed | PACKAGES/frenkel/in.frenkel | 2.2 | |
| ✗ 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 | 12.3 | completed, 6 abs diff and 6 rel diff checks failed differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started |
| ✗ failed | PACKAGES/gle/in.h2o-quantum | 15.6 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | PACKAGES/gle/in.h2o-smart | 14.5 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ◉ runtest | PACKAGES/hma/in.hma | 96.7 | completed, but no Step nor Loop in the output the run needs 97 s: a production sized run that should be shortened in the repository |
| ✗ 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 | 2.6 | completed, error parsing log.peptide-allbonds.2 into YAML |
| ◉ runtest | PACKAGES/ilves/in.peptide-fixed | 2.6 | completed, error parsing log.peptide-fixed.2 into YAML |
| ◉ runtest | PACKAGES/ilves/in.peptide-ilves | 1.9 | completed, error parsing log.peptide-ilves.2 into YAML |
| ◉ runtest | PACKAGES/ilves/in.peptide-mix | 2.6 | completed, error parsing log.peptide-mix.2 into YAML |
| ◉ runtest | PACKAGES/ilves/in.peptide-rattle | 2.5 | completed, error parsing log.peptide-rattle.2 into YAML |
| ◉ runtest | PACKAGES/ilves/in.peptide-shake | 2.4 | completed, error parsing log.peptide-shake.2 into YAML |
| ✗ failed | PACKAGES/ilves/in.polymelt | 13.9 | completed, 2 abs diff and 3 rel diff checks failed differs in the very first thermo output |
| ◉ runtest | PACKAGES/ilves/in.rhodo-allbonds | 26.5 | completed, error parsing log.rhodo-allbonds.2 into YAML |
| ◉ runtest | PACKAGES/ilves/in.rhodo-ilves | 16.5 | completed, error parsing log.rhodo-ilves.2 into YAML |
| ◉ runtest | PACKAGES/ilves/in.rhodo-shake | 24.6 | completed, error parsing log.rhodo-shake.2 into YAML |
| ✓ passed | PACKAGES/interlayer/aip_water_2dm/in.gr_water | 15.4 | |
| ✗ failed | PACKAGES/interlayer/drip/in.CH_drip | 1.7 | 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 | 1.6 | |
| ✓ passed | PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene | 50.9 | |
| ✓ passed | PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBN | 56.7 | |
| ✓ passed | PACKAGES/interlayer/ilp_graphene_hbn/in.grhBN | 70.3 | the run needs 70 s: a production sized run that should be shortened in the repository |
| ✓ passed | PACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn | 95.8 | the run needs 96 s: a production sized run that should be shortened in the repository |
| ✗ failed | PACKAGES/interlayer/ilp_tmds/in.mos2 | 19.2 | 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 | 91.5 | the run needs 92 s: a production sized run that should be shortened in the repository |
| ✓ passed | PACKAGES/interlayer/kolmogorov_crespi_z/in.atom-diffusion | 0.9 | |
| ✓ passed | PACKAGES/interlayer/kolmogorov_crespi_z/in.bilayer-graphene | 1.6 | |
| ✓ passed | PACKAGES/interlayer/saip_metal/in.gold_gr | 4.3 | |
| ✗ failed | PACKAGES/interlayer/saip_metal_tmd/in.au_mos2 | 37.4 | 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 | 25.3 | completed, but no Step nor Loop in the output |
| ◉ runtest | PACKAGES/local_density/methanol_implicit_water/in.methanol_implicit_water | 26.7 | completed, but no Step nor Loop in the output |
| ✗ failed | PACKAGES/manybody_table/in.spce | 2.4 | completed, 3 abs diff and 3 rel diff checks failed differs from step 400 on (output row 4) |
| ✗ failed | PACKAGES/manybody_table/in.spce2 | 2.6 | 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 | 2.5 | completed, 1 abs diff and 0 rel diff checks failed differs from step 1000 on (output row 10) |
| ✓ passed | PACKAGES/meam_spline/in.meam-spline.Si | 1.8 | |
| ✓ passed | PACKAGES/meam_spline/in.meam-spline.TiO2 | 42.0 | |
| ✓ 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 | 2.4 | completed, 0 abs diff and 2 rel diff checks failed differs from step 136 on (output row 136) |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.energy_conservation.meam.sw | 7.6 | |
| ✓ 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 | 1.0 | |
| ✓ 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 | 44.5 | 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 | 2.4 | failed, ERROR: Must use only Kokkos-enabled angle styles with angle_style hybrid/kk (src/KOKKOS/angle_hybrid_kokkos.cpp:209) |
| ⚠ error | PACKAGES/mofff/in.hkust1_long | 2.4 | failed, ERROR: Must use only Kokkos-enabled angle styles with angle_style hybrid/kk (src/KOKKOS/angle_hybrid_kokkos.cpp:209) |
| ✓ passed | PACKAGES/momb/in.system | 12.7 | |
| ✓ passed | PACKAGES/moments/in.converge | 9.5 | |
| ✓ passed | PACKAGES/moments/in.simple | 11.6 | |
| ✓ passed | PACKAGES/moments/in.valtest | 0.5 | |
| ◉ 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 | 0.3 | |
| ✓ passed | PACKAGES/pace/compute/in.compute | 0.4 | |
| ✓ passed | PACKAGES/pace/in.pace.product | 3.1 | |
| ✓ passed | PACKAGES/pace/in.pace.recursive | 4.0 | |
| ✗ failed | PACKAGES/pafi/in.pafi | 3.3 | completed, 2 abs diff and 2 rel diff checks failed differs from step 1100 on (output row 15) |
| ✗ failed | PACKAGES/pedone/in.pedone.melt | 8.1 | completed, 3 abs diff and 2 rel diff checks failed differs from step 400 on (output row 4) |
| ✗ failed | PACKAGES/pedone/in.pedone.relax | 11.5 | 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 | 2.3 | failed, ERROR: Pair style pod/kk can currently only run on a single CPU thread (src/KOKKOS/pair_pod_kokkos.cpp:97) |
| ○ skipped | PACKAGES/pod/Ta/in.pod.compute | 0.0 | skipped as specified in the test configuration |
| ✓ passed | PACKAGES/relres/in.22DMH.real | 15.1 | |
| ✓ passed | PACKAGES/relres/in.22DMH.relres | 3.3 | |
| ✗ failed | PACKAGES/rhok/in.crystal | 11.4 | completed, 2 abs diff and 2 rel diff checks failed differs from step 2050 on (output row 41) |
| ✗ failed | PACKAGES/rhok/in.pinning | 12.0 | completed, 2 abs diff and 2 rel diff checks failed differs from step 1250 on (output row 25) |
| ✗ failed | PACKAGES/rhok/in.setup | 8.6 | completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | PACKAGES/shock/hugoniostat/in.hugoniostat | 9.8 | 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 | 3.1 | 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 | 12.2 | completed, 14 abs diff and 14 rel diff checks failed differs from step 1000 on (output row 2) |
| ◉ runtest | PACKAGES/slater/in.slater | 12.6 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/sna_nnn_slcsa/in.slcsa | 19.7 | completed, error parsing log.slcsa.2 into YAML |
| ✓ passed | PACKAGES/stressprofile/in.cylinder | 2.8 | |
| ✓ passed | PACKAGES/stressprofile/in.flat | 1.8 | |
| ✓ passed | PACKAGES/stressprofile/in.sphere | 1.3 | |
| ◉ 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 | 2.4 | 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 | 3.0 | completed, error parsing log.mof5.2 into YAML |
| ✓ passed | SPIN/bfo/in.spin.bfo | 3.6 | |
| ✗ failed | SPIN/cobalt_fcc/in.spin.cobalt_fcc | 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.cobalt_fcc.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | SPIN/cobalt_hcp/in.spin.cobalt_hcp | 3.0 | 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 | 3.9 | completed, 1 abs diff and 1 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.iron_dipole_cut.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | SPIN/dipole_spin/in.spin.iron_dipole_ewald | 6.4 | completed, 1 abs diff and 1 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.iron_dipole_ewald.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | SPIN/dipole_spin/in.spin.iron_dipole_pppm | 6.4 | completed, 1 abs diff and 1 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Aug2026.spin.iron_dipole_pppm.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | SPIN/iron/in.spin.iron | 2.0 | 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 | 2.3 | 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 | 3.0 | 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_cubic.g++.4, which was written with 4 MPI processes instead of 2 |
| ✓ passed | SPIN/read_restart/in.spin.read_data | 2.0 | |
| ✓ passed | SPIN/read_restart/in.spin.restart | 0.7 | |
| ✗ failed | SPIN/read_restart/in.spin.write_restart | 1.2 | 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 |
| ✓ passed | UNITS/in.ar.lj | 0.3 | |
| ✓ passed | UNITS/in.ar.metal | 0.3 | |
| ✓ passed | UNITS/in.ar.real | 0.4 | |
| ✓ passed | airebo/in.airebo | 32.9 | |
| ✓ passed | airebo/in.airebo-0-0 | 3.4 | |
| ✓ passed | airebo/in.airebo-bc | 31.0 | |
| ✓ passed | airebo/in.airebo-m | 33.2 | |
| ✓ passed | airebo/in.rebo2 | 2.3 | |
| ✓ passed | atm/in.atm | 6.9 | |
| ✗ failed | balance/in.balance | 1.9 | 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 | 6.8 | |
| ✗ failed | balance/in.balance.clock.dynamic | 9.0 | completed, 11 abs diff and 12 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.clock.dynamic.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | balance/in.balance.clock.static | 3.5 | 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 | 1.3 | 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.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 | 5.8 | completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.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 | 2.1 | 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 | 3.7 | 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 | 11.6 | 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 |
| ✓ passed | charmmfsw/in.charmmfsw | 11.2 | |
| ✗ failed | cmap/in.cmap | 15.9 | completed, 1 abs diff and 1 rel diff checks failed differs from step 9000 on (output row 9) |
| ✗ 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 | 11.4 | |
| ✓ 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 | 10.5 | |
| ✗ 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 | 11.4 | 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 | 8.1 | completed, 10 abs diff and 10 rel diff checks failed differs from step 50 on (output row 1) |
| ✗ failed | coreshell/in.coreshell.thermostats | 7.7 | completed, 13 abs diff and 14 rel diff checks failed differs from step 50 on (output row 1) |
| ✗ failed | coreshell/in.coreshell.wolf | 8.2 | completed, 10 abs diff and 10 rel diff checks failed differs from step 50 on (output row 1) |
| ✓ passed | crack/in.crack | 2.9 | 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 | 3.7 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | deposit/in.deposit.molecule | 5.2 | 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 | 6.7 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | deposit/in.deposit.molecule.rigid-nvt-small | 6.8 | 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 | 6.5 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | dipole/in.charge_dipole | 15.5 | 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.26Jun26.charge_dipole.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | dipole/in.dipole | 0.9 | 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 |
| ✓ passed | eim/in.eim | 1.5 | |
| ✗ 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 | 0.7 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✗ failed | fire/in.abcfire_mod | 1.8 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✗ failed | fire/in.cg | 0.8 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✗ failed | fire/in.fire | 1.1 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✗ failed | fire/in.fire_mod | 0.7 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✓ passed | fire/in.meam.abcfire | 21.2 | |
| ✓ passed | fire/in.meam.fire | 19.2 | |
| ✗ failed | flow/in.flow.couette | 1.6 | 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 | 1.9 | 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 | 4.9 | 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.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 | 1.3 | 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 | 7.4 | |
| ⚠ error | granular/in.sync_verlet | 1.3 | failed, ERROR: Illegal wall/gran command, unrecognized damping model (src/KOKKOS/fix_wall_gran_old.cpp:203) |
| ✓ passed | granular/in.tableting.200 | 21.8 | |
| ✓ passed | granular/in.triaxial.compaction.12 | 1.3 | |
| ✓ passed | grid/in.grid.2d | 0.5 | |
| ✓ passed | grid/in.grid.3d | 0.8 | |
| ✗ failed | indent/in.indent | 7.0 | 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 | 0.7 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✓ passed | kim/in.lammps.melt | 1.3 | |
| ✓ passed | meam/in.meam | 1.1 | |
| ✗ failed | meam/in.meam.shear | 28.0 | 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 | 137.5 | 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 138 s: a product ... |
| ✗ failed | mesh/in.mesh_box | 7.1 | 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 | 0.8 | completed, 0 abs diff and 2 rel diff checks failed differs from step 850 on (output row 38) |
| ⚠ error | micelle/in.micelle-rigid | 1.5 | failed, ERROR: fix rigid/small/kk does not yet support 2d systems (src/KOKKOS/fix_rigid_small_kokkos.cpp:208) |
| ✗ 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 | 5.4 | 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 | 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. |
| ○ 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 | 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. |
| ⚠ 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 | 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. |
| ⚠ 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 | 22.3 | completed, 3 abs diff and 3 rel diff checks failed differs from step 700 on (output row 7) |
| ✓ passed | nemd/in.nemd | 0.5 | |
| ✗ failed | numdiff/in.numdiff | 4.1 | 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 | 5.3 | 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 | 2.4 | 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 | 2.3 | 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:1007) |
| ⚠ error | python/in.python.wrap | 2.3 | failed, ERROR: LAMMPS is not built with Python embedded (src/variable.cpp:662) |
| ✓ passed | qeq/in.qeq.reaxff | 0.3 | |
| ✗ failed | rdf-adf/in.spce | 64.8 | completed, 6 abs diff and 5 rel diff checks failed differs from step 100 on (output row 1) the run needs 65 s: a production sized run that should be shortened in the repository |
| ✗ failed | rdf-adf/in.spce.hbond | 43.3 | completed, 5 abs diff and 4 rel diff checks failed differs from step 300 on (output row 3) |
| ✗ failed | reaxff/AB/in.AB | 6.2 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | reaxff/AuO/in.AuO | 5.9 | completed, 2 abs diff and 1 rel diff checks failed differs from step 5 on (output row 1) |
| ✗ failed | reaxff/CHO/in.CHO | 8.4 | 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 | 5.3 | 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 | 6.9 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | reaxff/VOH/in.VOH | 6.1 | completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | reaxff/ZnOH2/in.ZnOH2 | 1.9 | completed, 3 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) |
| ✓ passed | reaxff/ci-reaxFF/in.ci-reax.CH | 9.8 | |
| ✗ 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 | 1.7 | completed, 1 abs diff and 1 rel diff checks failed differs from step 10 on (output row 2) |
| ✗ failed | reaxff/water/in.water.acks2 | 4.5 | completed, 1 abs diff and 0 rel diff checks failed differs in the very first thermo output |
| ✗ failed | reaxff/water/in.water.acks2.field | 5.7 | completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output |
| ✓ passed | reaxff/water/in.water.qeq | 3.1 | |
| ✓ passed | reaxff/water/in.water.qeq.field | 3.1 | |
| ✓ passed | reaxff/water/in.water.qeqr | 3.2 | |
| ✓ passed | reaxff/water/in.water.qeqr.field | 4.1 | |
| ✓ passed | reaxff/water/in.water.qtpie | 3.8 | |
| ✓ passed | reaxff/water/in.water.qtpie.field | 4.1 | |
| ✗ 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 | 1.5 | |
| ✓ passed | replicate/in.replicate.bond.xy | 1.4 | |
| ✓ passed | replicate/in.replicate.cnt | 4.1 | |
| ✓ passed | rigid/in.rigid | 1.6 | |
| ✓ passed | rigid/in.rigid.atomfile | 1.7 | |
| ✓ passed | rigid/in.rigid.atomvar | 1.7 | |
| ✓ passed | rigid/in.rigid.cubes | 1.2 | |
| ✗ failed | rigid/in.rigid.cubes.gravity | 1.5 | completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output (last OK: 2026-09-11T21-18-55Z_635728167b) |
| ✗ failed | rigid/in.rigid.cubes.langevin | 1.5 | completed, 3 abs diff and 3 rel diff checks failed differs from step 200 on (output row 1) |
| ✓ passed | rigid/in.rigid.cubes.multirun | 0.9 | |
| ✗ 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 | 0.9 | |
| ✓ passed | rigid/in.rigid.cubes.tri | 1.3 | |
| ✗ 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 | 1.7 | |
| ✓ passed | rigid/in.rigid.ellipsoids | 0.8 | |
| ⚠ error | rigid/in.rigid.gravity | 2.3 | failed, ERROR: Cannot yet use fix pour with the KOKKOS package (src/GRANULAR/fix_pour.cpp:60) |
| ✓ passed | rigid/in.rigid.infile | 1.7 | |
| ✓ passed | rigid/in.rigid.molecule | 1.7 | |
| ✓ passed | rigid/in.rigid.nve | 1.0 | |
| ✓ passed | rigid/in.rigid.nve.early | 1.6 | |
| ✓ passed | rigid/in.rigid.property | 1.7 | |
| ✓ passed | rigid/in.rigid.small | 1.9 | |
| ✓ passed | rigid/in.rigid.small.infile | 2.8 | |
| ✗ failed | rigid/in.rigid.spheres | 1.0 | completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output |
| ✗ failed | rigid/in.rigid.tnr | 10.6 | completed, 28 abs diff and 28 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | shear/in.shear | 2.6 | 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 | 2.3 | 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 | 11.7 | 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 | 4.5 | |
| ✓ passed | snap/in.snap.Mo_Chen | 0.8 | |
| ✓ passed | snap/in.snap.Ta06A | 0.7 | |
| ✓ passed | snap/in.snap.W.2940 | 1.3 | |
| ✓ 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 |
| ✓ passed | snap/in.snap.grid | 0.3 | |
| ✓ passed | snap/in.snap.grid.triclinic | 0.3 | |
| ✓ passed | snap/in.snap.hybrid.WSNAP.HePair | 1.7 | |
| ✓ passed | snap/in.snap.scale.Ni_Zuo_JCPA2020 | 1.5 | |
| ✓ passed | steinhardt/in.bcc | 0.3 | |
| ✓ passed | steinhardt/in.fcc | 0.3 | |
| ✗ failed | steinhardt/in.icos | 1.2 | 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.13Sept18.icos.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | stress_vcm/in.stress_vcm | 9.1 | 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 | 7.7 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | template/in.mol-restart-mix | 18.4 | completed, 8 abs diff and 8 rel diff checks failed differs in the very first thermo output |
| ✗ failed | template/in.molecular-mix | 11.2 | 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:611) |
| ✓ passed | tersoff/in.hBN_shift | 0.8 | |
| ✓ passed | tersoff/in.tersoff | 0.6 | |
| ✓ passed | threebody/in.mos2-bulk | 0.4 | |
| ✓ passed | threebody/in.mos2.rebomos | 15.0 | |
| ✓ 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 | 0.4 | |
| ✓ 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 | 9.1 | 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 | 8.7 | completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | ttm/in.ttm.mod | 3.7 | completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | ttm/in.ttm.thermal | 9.1 | 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 | 1.9 | completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.ccl.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | wall/in.wall.diffusive | 1.3 | completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.diffusive.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | wall/in.wall.flow | 4.5 | 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 | 4.2 | completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.23Aug2026.wall.harmonic.2d.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | wall/in.wall.harmonic.outside.2d | 4.0 | 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 | 1.7 | 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.maxwell.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | wall/in.wall.specular | 1.9 | completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.specular.g++.4, which was written with 4 MPI processes instead of 2 |
| ✗ failed | wall/in.wall.sphere | 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.sphere.g++.4, which was written with 4 MPI processes instead of 2 |
| ✓ passed | wall/in.wall.table | 0.4 | |
| ◉ runtest | yaml/in.yaml | 1.8 | completed, error parsing log.yaml.2 into YAML |