Full Regression — 2026-07-15T03-58-55Z_e04d816111
828
Tests
338
Passed
121
Failed
179
Errors
190
Skipped
| sha | e04d816111f0aa96382623cc329336b764811a1c |
| branch | develop |
| run_url | https://github.com/lammps/lammps/actions/runs/29387832540 |
| generated | 2026-07-15T05:22:22 |
| operating_system | OS: Linux "Ubuntu 24.04.4 LTS" 6.17.0-1018-azure x86_64 |
| git_info | Git info (develop / e04d816) |
| compiler | Compiler: GNU C++ 13.3.0 with OpenMP 4.5 |
| compile_flags | -DLAMMPS_GZIP -DLAMMPS_CURL -DLAMMPS_SMALLBIG |
| config_file | config_serial.yaml |
| lmp_binary | /home/runner/work/lammps/lammps/build/lmp |
Changes vs 2026-07-11T00-34-35Z_7b8a4256bf
4 fixed vs previous run
Fixed (4)
streitz/in.ctipwall/in.wall.cclwall/in.wall.diffusivewall/in.wall.maxwell
All tests
| Status | Test | Time (s) | Details |
|---|---|---|---|
| ✗ failed | ASPHERE/box/in.box | 17.0 | completed, 2 abs diff and 3 rel diff checks failed |
| ✗ failed | ASPHERE/box/in.box.mp | 17.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✗ failed | ASPHERE/dimer/in.dimer | 5.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✗ failed | ASPHERE/dimer/in.dimer.mp | 14.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✓ passed | ASPHERE/ellipsoid/in.ellipsoid | 8.0 | |
| ✓ passed | ASPHERE/ellipsoid/in.ellipsoid.mp | 8.0 | |
| ✗ failed | ASPHERE/flat_membrane/in.flat_membrane | 5.0 | completed, 1 abs diff and 2 rel diff checks failed |
| ✗ failed | ASPHERE/line/in.line | 2.0 | completed, 1 abs diff and 1 rel diff checks failed |
| ✗ failed | ASPHERE/line/in.line.srd | 26.0 | completed, 4 abs diff and 4 rel diff checks failed |
| ✓ passed | ASPHERE/poly/in.poly | 7.0 | |
| ✓ passed | ASPHERE/poly/in.poly.mp | 7.0 | |
| ✗ failed | ASPHERE/star/in.star | 11.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✗ failed | ASPHERE/star/in.star.mp | 11.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ○ skipped | ASPHERE/superellipsoid_gran/in.bowling | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | ASPHERE/superellipsoid_gran/in.drop_test | 8.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | ASPHERE/superellipsoid_gran/in.ellipsoid_gran | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | ASPHERE/superellipsoid_gran/in.super_table | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ✗ failed | ASPHERE/tri/in.tri.srd | 106.0 | completed, 4 abs diff and 4 rel diff checks failed |
| ✓ passed | ASPHERE/vesicle/in.vesicle | 7.0 | |
| ⚠ error | COUPLE/lammps_spparks/in.lammps | 0.0 | failed, ERROR: Cannot open file data.lammps: No such file or directory (src/read_data.cpp:382) |
| ⚠ error | COUPLE/lammps_spparks/in.spparks | 0.0 | failed, unknown command, package not installed, ERROR: Unknown command: seed 56789 (src/input.cpp:316) |
| ○ skipped | COUPLE/multiple/in.chain | 4.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | COUPLE/plugin/in.lj | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | COUPLE/python/in.fix_external | 0.0 | completed, but no Step nor Loop in the output |
| ○ skipped | COUPLE/simple/in.lj | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | DIFFUSE/in.msd.2d | 38.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | DIFFUSE/in.vacf.2d | 51.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | ELASTIC/in.elastic | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | ELASTIC_T/BORN_MATRIX/Argon/Analytical/in.ljcov | 103.0 | completed, error parsing log.ljcov.1 into YAML |
| ○ skipped | ELASTIC_T/BORN_MATRIX/Argon/Numdiff/in.ljcov | 108.0 | completed, error parsing log.ljcov.1 into YAML |
| ○ skipped | ELASTIC_T/BORN_MATRIX/Silicon/in.elastic | 61.0 | completed, error parsing log.elastic.1 into YAML |
| ○ skipped | ELASTIC_T/DEFORMATION/Silicon/in.elastic | 6.0 | completed, numerical checks skipped due to missing the reference log file |
| ⚠ error | GRAPHICS/in.bpm-fracture | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | GRAPHICS/in.breakable | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | GRAPHICS/in.cubes-and-pyramids | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ○ skipped | GRAPHICS/in.obstacle-lines | 14.0 | completed, numerical checks skipped due to missing the reference log file |
| ⚠ error | GRAPHICS/in.peptide-hbonds | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | GRAPHICS/in.rhodo-delaunay | 0.0 | failed, ERROR: Support for writing images in PNG format not included (src/GRAPHICS/dump_image.cpp:182) |
| ⚠ error | GRAPHICS/in.water-arrows | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | HEAT/in.lj.ehex | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | HEAT/in.lj.hex | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | HEAT/in.spce.ehex | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | HEAT/in.spce.hex | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ○ skipped | KAPPA/in.ehex | 111.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | KAPPA/in.heat | 112.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | KAPPA/in.heatflux | 171.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | KAPPA/in.langevin | 129.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | KAPPA/in.mp | 143.0 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | LEPTON/in.efield-lepton | 2.0 | |
| ✓ passed | MC-LOOP/in.mc | 0.0 | |
| ✓ passed | PACKAGES/addtorque_group/in.addtorque | 35.0 | |
| ⚠ error | PACKAGES/adios/balance/in.adios_balance | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized dump style 'custom/adios' is part of the ADIOS package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/adios/balance/in.adios_balance2 | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized reader style 'adios' is part of the ADIOS package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/adios/rerun/in.first | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized dump style 'custom/adios' is part of the ADIOS package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/adios/rerun/in.read_dump | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized reader style 'adios' is part of the ADIOS package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/adios/rerun/in.rerun | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized reader style 'adios' is part of the ADIOS package which is not enabled in this LAMMPS binary. |
| ✓ passed | PACKAGES/agni/in.adatom | 16.0 | |
| ✓ passed | PACKAGES/agni/in.vacancy | 2.0 | |
| ⚠ error | PACKAGES/alchemy/in.alloy | 0.0 | failed, ERROR: World variable count 2 doesn't match # of partitions 1 (src/variable.cpp:351) |
| ⚠ error | PACKAGES/alchemy/in.twowater | 0.0 | failed, ERROR: World variable count 2 doesn't match # of partitions 1 (src/variable.cpp:351) |
| ⚠ error | PACKAGES/apip/in.surface.balance | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized atom style 'apip' is part of the APIP package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/apip/in.surface.la.cons | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized atom style 'apip' is part of the APIP package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/apip/in.surface.la.cons.balance | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized atom style 'apip' is part of the APIP package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/apip/in.surface.la.nocons | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized atom style 'apip' is part of the APIP package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/apip/in.vacancy.const.lambda | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized atom style 'apip' is part of the APIP package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/apip/in.vacancy.dynamic.lambda | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized atom style 'apip' is part of the APIP package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/apip/in.validate | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized atom style 'apip' is part of the APIP package which is not enabled in this LAMMPS binary. |
| ○ skipped | PACKAGES/baoab/in.baoab_lj | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ⚠ error | PACKAGES/basal/in.basal | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ✓ passed | PACKAGES/bocs/1_site_just_pair_LD/in.basic_ldd | 1.0 | |
| ○ skipped | PACKAGES/bocs/4_sites_LD_SG/in.ldd_create_data | 2.0 | completed, numerical checks skipped due to missing the reference log file |
| ✗ failed | PACKAGES/bocs/4_sites_LD_SG/in.ldd_molecule | 2.0 | completed, 5 abs diff and 5 rel diff checks failed |
| ✗ failed | PACKAGES/bocs/in.methanol | 16.0 | completed, 4 abs diff and 4 rel diff checks failed |
| ✓ passed | PACKAGES/bondval/in.hexbto | 21.0 | |
| ✓ passed | PACKAGES/brownian/align_self/in.alignself_dipole | 5.0 | |
| ✓ passed | PACKAGES/brownian/align_self/in.alignself_quat | 7.0 | |
| ✗ failed | PACKAGES/cauchy/in.cauchystat | 1.0 | completed, 1 abs diff and 1 rel diff checks failed |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxDNA/duplex1/in.duplex1 | 0.0 | |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxDNA/duplex2/in.duplex2 | 0.0 | |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxDNA/potential_file/in.duplex1 | 0.0 | |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxDNA2/dsring/in.dsring | 3.0 | |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex1/in.duplex1 | 0.0 | |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex2/in.duplex2 | 0.0 | |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex3/in.duplex3 | 0.0 | |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxDNA2/potential_file/in.duplex1 | 0.0 | |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxDNA3/duplex2/in.duplex2 | 0.0 | |
| ⚠ error | PACKAGES/cgdna/examples/lj_units/oxDNA3/unique_bp/in.dsring2 | 0.0 | failed, ERROR on proc 0: cannot open oxdna potential potential file oxdna2_lj.cgdna: No such file or directory (src/potential_file_reader.cpp:58) |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxRNA2/duplex2/in.duplex2 | 0.0 | |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxRNA2/potential_file/in.duplex2 | 0.0 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxDNA/duplex1/in.duplex1 | 0.0 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxDNA/duplex2/in.duplex2 | 0.0 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxDNA/potential_file/in.duplex1 | 0.0 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxDNA2/dsring/in.dsring | 3.0 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxDNA2/duplex1/in.duplex1 | 0.0 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxDNA2/duplex2/in.duplex2 | 0.0 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxDNA2/duplex3/in.duplex3 | 0.0 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxDNA2/potential_file/in.duplex1 | 0.0 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxDNA3/duplex2/in.duplex2 | 0.0 | |
| ⚠ error | PACKAGES/cgdna/examples/real_units/oxDNA3/unique_bp/in.dsring2 | 0.0 | failed, ERROR on proc 0: cannot open oxdna potential potential file oxdna2_real.cgdna: No such file or directory (src/potential_file_reader.cpp:58) |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxRNA2/duplex2/in.duplex2 | 0.0 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxRNA2/potential_file/in.duplex2 | 0.0 | |
| ○ skipped | PACKAGES/cgspica/peg-verlet/in.pegc12e8 | 62.0 | completed, error parsing log.pegc12e8.1 into YAML |
| ○ skipped | PACKAGES/cgspica/peg-verlet/in.pegc12e8-angle | 62.0 | completed, error parsing log.pegc12e8-angle.1 into YAML |
| ✓ passed | PACKAGES/cgspica/sds-monolayer/in.sds-hybrid | 5.0 | |
| ✓ passed | PACKAGES/cgspica/sds-monolayer/in.sds-regular | 5.0 | |
| ✗ failed | PACKAGES/charge_regulation/in.chreg-acid | 1.0 | completed, 1 abs diff and 1 rel diff checks failed |
| ✗ failed | PACKAGES/charge_regulation/in.chreg-acid-real | 0.0 | completed, 1 abs diff and 1 rel diff checks failed |
| ✗ failed | PACKAGES/charge_regulation/in.chreg-polymer | 1.0 | completed, 1 abs diff and 1 rel diff checks failed |
| ○ skipped | PACKAGES/class2xe/in.NVT_class2xe.script | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/cnp/in.cnp | 18.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/colvars/in.peptide-colvars | 4.0 | completed, error parsing log.peptide-colvars.1 into YAML |
| ○ skipped | PACKAGES/colvars/in.peptide-colvars2 | 1.0 | completed, error parsing log.peptide-colvars2.1 into YAML |
| ✓ passed | PACKAGES/colvars/in.peptide-spring | 1.0 | |
| ✓ passed | PACKAGES/colvars/in.peptide-spring2 | 1.0 | |
| ○ skipped | PACKAGES/dielectric/in.confined | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/dielectric/in.nopbc | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | PACKAGES/diffraction/in.BulkNi | 146.0 | |
| ✓ passed | PACKAGES/dispersion/in.d2 | 4.0 | |
| ✓ passed | PACKAGES/dispersion/in.d3 | 8.0 | |
| ✗ failed | PACKAGES/dpd-basic/dpd/in.dpd | 0.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ○ skipped | PACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long | 1.0 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | PACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat | 8.0 | |
| ✗ failed | PACKAGES/dpd-basic/dpdext/in.dpdext | 0.0 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✓ passed | PACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat | 22.0 | |
| ✗ failed | PACKAGES/dpd-meso/edpd/in.edpd | 86.0 | completed, 6 abs diff and 6 rel diff checks failed (last OK: 2026-07-03T12-15-00_ca0dd9fb08) |
| ✗ failed | PACKAGES/dpd-meso/edpd/in.edpd-region | 86.0 | completed, 6 abs diff and 6 rel diff checks failed |
| ✗ failed | PACKAGES/dpd-meso/mdpd/in.mdpd | 107.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✓ passed | PACKAGES/dpd-meso/tdpd/in.tdpd | 66.0 | |
| ✓ passed | PACKAGES/dpd-meso/tdpd/in.tdpd-region | 66.0 | |
| ○ skipped | PACKAGES/dpd-react/dpd-shardlow/in.dpd-shardlow | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/dpd-react/dpd-vv/in.dpd-vv | 9.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/dpd-react/dpde-shardlow/in.dpde-shardlow | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/dpd-react/dpde-vv/in.dpde-vv | 11.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/dpd-react/dpdh-shardlow/in.dpdh-shardlow | 2.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/dpd-react/dpdp-shardlow/in.dpdp-shardlow | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/dpd-react/dpdrx-shardlow/in.dpdrx-shardlow | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/dpd-react/multi-lucy/in.multi-lucy | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/dpd-smooth/2d-diffusion-in-shear-flow/in.lammps | 104.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/dpd-smooth/2d-diffusion/in.lammps | 59.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/dpd-smooth/equipartition-verification/in.lammps | 42.0 | completed, numerical checks skipped due to missing the reference log file |
| ✗ failed | PACKAGES/drude/butane/in.butane.lang | 53.0 | completed, 3 abs diff and 3 rel diff checks failed (last OK: 2026-07-03T12-15-00_ca0dd9fb08) |
| ✗ failed | PACKAGES/drude/butane/in.butane.nh | 52.0 | completed, 5 abs diff and 5 rel diff checks failed (last OK: 2026-07-03T12-15-00_ca0dd9fb08) |
| ✗ failed | PACKAGES/drude/butane/in.butane.tgnh | 52.0 | completed, 4 abs diff and 4 rel diff checks failed (last OK: 2026-07-03T12-15-00_ca0dd9fb08) |
| ✗ failed | PACKAGES/drude/ethanol/in.ethanol.lang | 45.0 | completed, 3 abs diff and 5 rel diff checks failed (last OK: 2026-07-03T12-15-00_ca0dd9fb08) |
| ✗ failed | PACKAGES/drude/ethanol/in.ethanol.nh | 45.0 | completed, 5 abs diff and 5 rel diff checks failed (last OK: 2026-07-03T12-15-00_ca0dd9fb08) |
| ✗ failed | PACKAGES/drude/ethanol/in.ethanol.tgnh | 47.0 | completed, 5 abs diff and 5 rel diff checks failed (last OK: 2026-07-03T12-15-00_ca0dd9fb08) |
| ✗ failed | PACKAGES/drude/ethylene_glycol/in.ethylene_glycol | 26.0 | completed, 4 abs diff and 4 rel diff checks failed (last OK: 2026-07-03T12-15-00_ca0dd9fb08) |
| ✗ failed | PACKAGES/drude/swm4-ndp/in.swm4-ndp.lang | 67.0 | completed, 5 abs diff and 5 rel diff checks failed (last OK: 2026-07-03T12-15-00_ca0dd9fb08) |
| ✗ failed | PACKAGES/drude/swm4-ndp/in.swm4-ndp.nh | 55.0 | completed, 5 abs diff and 5 rel diff checks failed (last OK: 2026-07-03T12-15-00_ca0dd9fb08) |
| ✗ failed | PACKAGES/drude/toluene/in.toluene.lang | 71.0 | completed, 4 abs diff and 5 rel diff checks failed (last OK: 2026-07-03T12-15-00_ca0dd9fb08) |
| ✗ failed | PACKAGES/drude/toluene/in.toluene.nh | 72.0 | completed, 5 abs diff and 5 rel diff checks failed (last OK: 2026-07-03T12-15-00_ca0dd9fb08) |
| ✓ passed | PACKAGES/e3b/in.e3b-tip4p2005 | 2.0 | |
| ○ skipped | PACKAGES/edip/in.edip-Si | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/edip/in.edip-Si-multi | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/edip/in.edip-SiC | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | PACKAGES/ees/in.fix_wall | 0.0 | |
| ✓ passed | PACKAGES/ees/in.fix_wall_region | 0.0 | |
| ✓ passed | PACKAGES/eff/Auger-Adamantane/in.adamantane_ionized.nve | 92.0 | |
| ○ skipped | PACKAGES/eff/Be-solid/in.Be-solid.spe | 13.0 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | PACKAGES/eff/CH4/in.ch4.dynamics | 0.0 | |
| ✓ passed | PACKAGES/eff/CH4/in.ch4.min | 0.0 | |
| ✓ passed | PACKAGES/eff/CH4/in.ch4_ionized.dynamics | 16.0 | |
| ✓ passed | PACKAGES/eff/ECP/Si2H6/in.Si2H6 | 0.0 | |
| ✓ passed | PACKAGES/eff/ECP/Si2H6/in.Si2H6.ang | 4.0 | |
| ○ skipped | PACKAGES/eff/ECP/SiC/bulk/in.SiC | 31.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/eff/ECP/SiH4/in.SiH4 | 0.0 | completed, error parsing log.SiH4.1 into YAML |
| ○ skipped | PACKAGES/eff/ECP/SiH4/in.SiH4.ang | 0.0 | completed, error parsing log.SiH4.ang.1 into YAML |
| ○ skipped | PACKAGES/eff/H/in.h_atom.spe.ang | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/eff/H/in.h_atom.spe.bohr | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/eff/H2/in.h2 | 4.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/eff/H_plasma/in.h2bulk.npt | 47.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/eff/H_plasma/in.h2bulk.nve | 79.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/eff/H_plasma/in.h2bulk.nve.ang | 88.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/eff/Li-dendritic/in.Li-dendritic.min | 34.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/eff/Li-dendritic/in.Li-dendritic.nvt | 67.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/eff/Li-solid/in.Li.ang | 74.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/eff/Li-solid/in.Li.bohr | 53.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.ang | 2.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.bohr | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/eff/fixed-core/CH4/in.CH4fc.ang | 3.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/eff/fixed-core/CH4/in.CH4fc.bohr | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.ang | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.bohr | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ⚠ error | PACKAGES/electrode/au-aq/in.ffield | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | PACKAGES/electrode/au-aq/in.tf | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ○ skipped | PACKAGES/electrode/graph-il/in.conp | 49.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/electrode/graph-il/in.conq | 47.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/electrode/graph-il/in.conq2 | 47.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/electrode/graph-il/in.etypes | 47.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/electrode/graph-il/in.ffield | 41.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/electrode/graph-il/in.ramp | 47.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/electrode/graph-il/in.thermo | 47.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/electrode/madelung/in.cg | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | PACKAGES/electrode/madelung/in.eta | 0.0 | |
| ✓ passed | PACKAGES/electrode/madelung/in.eta_cg | 0.0 | |
| ✓ passed | PACKAGES/electrode/madelung/in.eta_mix | 0.0 | |
| ○ skipped | PACKAGES/electrode/madelung/in.ewald-ew2d | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/electrode/madelung/in.ewald-ew3dc | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/electrode/madelung/in.ewald-ffield | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/electrode/madelung/in.pppm-ew3dc | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/electrode/madelung/in.pppm-ffield | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ⚠ error | PACKAGES/electrode/piston/in.piston | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ✓ passed | PACKAGES/electrode/planar/in.planar-ewald-ew2d | 0.0 | |
| ✓ passed | PACKAGES/electrode/planar/in.planar-ewald-ew3dc | 0.0 | |
| ✓ passed | PACKAGES/electrode/planar/in.planar-ewald-ffield | 0.0 | |
| ✓ passed | PACKAGES/electrode/planar/in.planar-pppm-ew3dc | 0.0 | |
| ✓ passed | PACKAGES/electrode/planar/in.planar-pppm-ffield | 0.0 | |
| ✓ passed | PACKAGES/electron_stopping/in.cascade_AlCu | 6.0 | |
| ✓ passed | PACKAGES/electron_stopping/in.cascade_SiSi | 13.0 | |
| ✓ passed | PACKAGES/electron_stopping/in.elstop | 22.0 | |
| ✓ passed | PACKAGES/electron_stopping/in.elstop.only | 0.0 | |
| ○ skipped | PACKAGES/entropy/in.entropy | 10.0 | completed, numerical checks skipped due to missing the reference log file |
| ✗ failed | PACKAGES/extep/in.extep-bn | 0.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ⚠ error | PACKAGES/fep/C7inEthanol/fep01/in.insertion | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | PACKAGES/fep/C7inEthanol/fep10/in.deletion | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | PACKAGES/fep/CC-CO/fep01/in.fep01.lmp | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | PACKAGES/fep/CC-CO/fep10/in.fep10.lmp | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | PACKAGES/fep/CH4-CF4/bar01/in.bar01.lmp | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | PACKAGES/fep/CH4-CF4/bar10/in.bar10.lmp | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | PACKAGES/fep/CH4-CF4/fep01/in.fep01.lmp | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | PACKAGES/fep/CH4-CF4/fep10/in.fep10.lmp | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | PACKAGES/fep/CH4hyd/fdti01/in.fdti01.lmp | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | PACKAGES/fep/CH4hyd/fdti10/in.fdti10.lmp | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | PACKAGES/fep/CH4hyd/fep01/in.fep01.lmp | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | PACKAGES/fep/CH4hyd/fep10/in.fep10.lmp | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | PACKAGES/fep/ta/in.spce.lmp | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ○ skipped | PACKAGES/filter_corotate/in.bpti | 24.0 | completed, error parsing log.bpti.1 into YAML |
| ✗ failed | PACKAGES/filter_corotate/in.peptide | 98.0 | completed, 3 abs diff and 3 rel diff checks failed (last OK: 2026-07-03T12-15-00_ca0dd9fb08) |
| ✓ passed | PACKAGES/flow_gauss/in.GD | 1.0 | |
| ○ skipped | PACKAGES/gauss_diel/in.gauss-diel | 7.0 | completed, error parsing log.gauss-diel.1 into YAML |
| ○ skipped | PACKAGES/gauss_diel/in.gauss-diel-cg | 2.0 | completed, error parsing log.gauss-diel-cg.1 into YAML |
| ○ skipped | PACKAGES/gauss_diel/in.gauss-diel-split | 2.0 | completed, error parsing log.gauss-diel-split.1 into YAML |
| ✗ failed | PACKAGES/gle/in.h2o-quantum | 10.0 | completed, 3 abs diff and 3 rel diff checks failed (last OK: 2026-07-03T12-15-00_ca0dd9fb08) |
| ✗ failed | PACKAGES/gle/in.h2o-smart | 10.0 | completed, 3 abs diff and 3 rel diff checks failed (last OK: 2026-07-03T12-15-00_ca0dd9fb08) |
| ⚠ error | PACKAGES/grem/lj-6rep/in.gREM | 0.0 | failed, ERROR: Cannot open file restart_file: No such file or directory (src/read_data.cpp:382) |
| ○ skipped | PACKAGES/grem/lj-single/in.gREM-npt | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/grem/lj-single/in.gREM-nvt | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ⚠ error | PACKAGES/grem/lj-temper/in.gREM-temper | 0.0 | failed, ERROR: World variable count 4 doesn't match # of partitions 1 (src/variable.cpp:351) |
| ⚠ error | PACKAGES/hdnnp/in.hdnnp | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized pair style 'hdnnp' is part of the ML-HDNNP package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/hdnnp/in.hybrid | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized pair style 'hdnnp' is part of the ML-HDNNP package which is not enabled in this LAMMPS binary. |
| ✓ passed | PACKAGES/ilves/in.cg-polymers | 2.0 | |
| ✓ passed | PACKAGES/ilves/in.covid | 114.0 | |
| ○ skipped | PACKAGES/ilves/in.dimer | 0.0 | completed, error parsing log.dimer.1 into YAML |
| ○ skipped | PACKAGES/ilves/in.peptide-allbonds | 4.0 | completed, error parsing log.peptide-allbonds.1 into YAML |
| ○ skipped | PACKAGES/ilves/in.peptide-fixed | 4.0 | completed, error parsing log.peptide-fixed.1 into YAML |
| ○ skipped | PACKAGES/ilves/in.peptide-ilves | 4.0 | completed, error parsing log.peptide-ilves.1 into YAML |
| ○ skipped | PACKAGES/ilves/in.peptide-mix | 4.0 | completed, error parsing log.peptide-mix.1 into YAML |
| ○ skipped | PACKAGES/ilves/in.peptide-rattle | 4.0 | completed, error parsing log.peptide-rattle.1 into YAML |
| ○ skipped | PACKAGES/ilves/in.peptide-shake | 4.0 | completed, error parsing log.peptide-shake.1 into YAML |
| ✓ passed | PACKAGES/ilves/in.polymelt | 24.0 | |
| ○ skipped | PACKAGES/ilves/in.rhodo-allbonds | 49.0 | completed, error parsing log.rhodo-allbonds.1 into YAML |
| ○ skipped | PACKAGES/ilves/in.rhodo-ilves | 49.0 | completed, error parsing log.rhodo-ilves.1 into YAML |
| ○ skipped | PACKAGES/ilves/in.rhodo-shake | 48.0 | completed, error parsing log.rhodo-shake.1 into YAML |
| ○ skipped | PACKAGES/imd/in.bucky-plus-cnt | 0.0 | skipped as specified in the test configuration |
| ○ skipped | PACKAGES/imd/in.bucky-plus-cnt-gpu | 0.0 | skipped as specified in the test configuration |
| ○ skipped | PACKAGES/imd/in.deca-ala-solv-filter_imd | 0.0 | skipped as specified in the test configuration |
| ○ skipped | PACKAGES/imd/in.deca-ala-solv_imd | 0.0 | skipped as specified in the test configuration |
| ○ skipped | PACKAGES/imd/in.deca-ala-solv_imd_v3 | 0.0 | skipped as specified in the test configuration |
| ○ skipped | PACKAGES/imd/in.deca-ala_imd | 0.0 | skipped as specified in the test configuration |
| ○ skipped | PACKAGES/imd/in.deca-ala_imd-gpu | 0.0 | skipped as specified in the test configuration |
| ○ skipped | PACKAGES/imd/in.melt_imd | 0.0 | skipped as specified in the test configuration |
| ○ skipped | PACKAGES/imd/in.melt_imd-gpu | 0.0 | skipped as specified in the test configuration |
| ✗ failed | PACKAGES/interlayer/aip_water_2dm/in.gr_water | 16.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ✗ failed | PACKAGES/interlayer/aip_water_2dm/in.gr_water.opt | 8.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ✗ failed | PACKAGES/interlayer/drip/in.CH_drip | 1.0 | completed, 2 abs diff and 1 rel diff checks failed |
| ✓ passed | PACKAGES/interlayer/drip/in.C_drip | 1.0 | |
| ✓ passed | PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene | 131.0 | |
| ✓ passed | PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBN | 143.0 | |
| ✓ passed | PACKAGES/interlayer/ilp_graphene_hbn/in.grhBN | 138.0 | |
| ✓ passed | PACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn | 64.0 | |
| ✗ failed | PACKAGES/interlayer/ilp_tmds/in.mos2 | 47.0 | completed, 1 abs diff and 1 rel diff checks failed |
| ✗ failed | PACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphene | 125.0 | failed, mismatched columns in the log files |
| ✓ passed | PACKAGES/interlayer/kolmogorov_crespi_z/in.atom-diffusion | 0.0 | |
| ✓ passed | PACKAGES/interlayer/kolmogorov_crespi_z/in.bilayer-graphene | 1.0 | |
| ✓ passed | PACKAGES/interlayer/saip_metal/in.gold_gr | 6.0 | |
| ✗ failed | PACKAGES/interlayer/saip_metal_tmd/in.au_mos2 | 52.0 | completed, 3 abs diff and 2 rel diff checks failed |
| ⚠ error | PACKAGES/ipi/in.graphene | 0.0 | failed, ERROR on proc 0: Error opening UNIX socket: server may not be running or the path to the socket unavailable (src/MISC/fix_ipi.cpp:131) |
| ⚠ error | PACKAGES/latboltz/confined_colloid/in.confined_colloids | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'lb/fluid' is part of the LATBOLTZ package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/latboltz/diffusingsphere/in.trapnewsphere | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'lb/fluid' is part of the LATBOLTZ package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/latboltz/dragforce/in.dragtest | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'lb/fluid' is part of the LATBOLTZ package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/latboltz/microrheology/in.microrheology | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'lb/fluid' is part of the LATBOLTZ package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/latboltz/pit_geometry/in.pits | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'lb/fluid' is part of the LATBOLTZ package which is not enabled in this LAMMPS binary. (last OK: 2026-07-03T12-15-00_ca0dd9fb08) |
| ⚠ error | PACKAGES/latboltz/planewall/in.planewall | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'lb/fluid' is part of the LATBOLTZ package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/latboltz/polymer/in.polymer | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'lb/fluid' is part of the LATBOLTZ package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/latboltz/toycar/in.toycar | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | PACKAGES/latboltz/translocation/in.translocation | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'lb/fluid' is part of the LATBOLTZ package which is not enabled in this LAMMPS binary. |
| ○ skipped | PACKAGES/local_density/benzene_water/in.benzene_water | 35.0 | completed, but no Step nor Loop in the output |
| ○ skipped | PACKAGES/local_density/methanol_implicit_water/in.methanol_implicit_water | 66.0 | completed, but no Step nor Loop in the output |
| ✓ passed | PACKAGES/machdyn/aluminum_strip_pull/in.aluminum_strip_pull | 1.0 | |
| ⚠ error | PACKAGES/machdyn/fluid_structure_interaction/in.fluid_structure_interaction | 0.0 | failed, ERROR on proc 0: Atoms have moved too far apart (74.73995242928326) for minimum image |
| ✓ passed | PACKAGES/machdyn/funnel_flow/in.funnel_flow | 25.0 | |
| ✓ passed | PACKAGES/machdyn/rubber_rings_3d/in.rubber_rings_3d | 14.0 | |
| ✓ passed | PACKAGES/machdyn/rubber_strip_pull/in.rubber_strip_pull | 1.0 | |
| ✓ passed | PACKAGES/manybody_table/in.spce | 5.0 | |
| ✓ passed | PACKAGES/manybody_table/in.spce2 | 5.0 | |
| ✓ passed | PACKAGES/manybody_table/in.spce_sw | 5.0 | |
| ⚠ error | PACKAGES/mbx/256h2o/in.mbx_h2o | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized pair style 'mbx' is part of the MBX package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/mbx/256h2o_dipole/in.mbx_h2o | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized pair style 'mbx' is part of the MBX package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/mbx/mof_ff_lammps+1_h2o_mbx/in.mbx_mof_1h2o | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized pair style 'mbx' is part of the MBX package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/mbx/na+_slab/in.slab | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized pair style 'mbx' is part of the MBX package which is not enabled in this LAMMPS binary. |
| ✓ passed | PACKAGES/meam_spline/in.meam-spline.Si | 1.0 | |
| ✓ passed | PACKAGES/meam_spline/in.meam-spline.TiO2 | 78.0 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.bcc | 0.0 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.bcc_relax | 0.0 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.dc | 0.0 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.dc_relax | 0.0 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.energy_conservation.meam.sw | 8.0 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.fcc | 0.0 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.fcc_relax | 0.0 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.hcp_relax | 0.0 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.sc | 0.0 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.sc_relax | 0.0 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.single_atom | 0.0 | |
| ✓ passed | PACKAGES/meam_sw_spline/Ti/in.alpha | 0.0 | |
| ✓ passed | PACKAGES/meam_sw_spline/Ti/in.alpha_relaxation | 0.0 | |
| ✓ passed | PACKAGES/meam_sw_spline/Ti/in.beta | 0.0 | |
| ✗ failed | PACKAGES/meam_sw_spline/Ti/in.energy_conservation.meam.sw | 53.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ✓ passed | PACKAGES/meam_sw_spline/Ti/in.fcc | 0.0 | |
| ✓ passed | PACKAGES/meam_sw_spline/Ti/in.hexagonal | 0.0 | |
| ✓ passed | PACKAGES/meam_sw_spline/Ti/in.omega | 0.0 | |
| ✓ passed | PACKAGES/meam_sw_spline/Ti/in.single_atom | 0.0 | |
| ⚠ error | PACKAGES/mesont/in.film_mesocnt | 0.0 | failed, ERROR on proc 0: cannot open mesocnt potential file C_10_10.mesocnt: No such file or directory (src/potential_file_reader.cpp:58) |
| ⚠ error | PACKAGES/mgpt/in.bcc0 | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized pair style 'mgpt' is part of the MGPT package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/mgpt/in.vac0-bcc | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized pair style 'mgpt' is part of the MGPT package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/mgpt/in.vacmin-bcc | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized pair style 'mgpt' is part of the MGPT package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/ml-runner/in.ml-runner.H2O | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized pair style 'runner' is part of the ML-RUNNER package which is not enabled in this LAMMPS binary. |
| ○ skipped | PACKAGES/mofff/in.hkust1 | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/mofff/in.hkust1_long | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | PACKAGES/momb/in.system | 14.0 | |
| ⚠ error | PACKAGES/moments/in.converge | 0.0 | failed, ERROR on proc 0: cannot open eam/alloy potential file AlCu.eam.alloy: No such file or directory (src/potential_file_reader.cpp:58) |
| ⚠ error | PACKAGES/moments/in.simple | 0.0 | failed, ERROR on proc 0: cannot open eam/alloy potential file AlCu.eam.alloy: No such file or directory (src/potential_file_reader.cpp:58) |
| ⚠ error | PACKAGES/moments/in.valtest | 0.0 | failed, ERROR on proc 0: cannot open eam/alloy potential file AlCu.eam.alloy: No such file or directory (src/potential_file_reader.cpp:58) |
| ○ skipped | PACKAGES/momentum/in.momentum | 39.0 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | PACKAGES/mop/in.compute_stress_mop | 0.0 | |
| ✓ passed | PACKAGES/neighbor-swap/in.KMC_pulse_center | 44.0 | |
| ✓ passed | PACKAGES/neighbor-swap/in.KMC_pulse_edge | 44.0 | |
| ○ skipped | PACKAGES/orient_eco/in.orient_eco | 134.0 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | PACKAGES/pace/compute/in.compute | 0.0 | |
| ✓ passed | PACKAGES/pace/in.pace.product | 10.0 | |
| ✓ passed | PACKAGES/pace/in.pace.recursive | 6.0 | |
| ✓ passed | PACKAGES/pafi/in.pafi | 4.0 | |
| ✗ failed | PACKAGES/pedone/in.pedone.melt | 13.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✗ failed | PACKAGES/pedone/in.pedone.relax | 15.0 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ○ skipped | PACKAGES/phonon/1-1D-mono/in.Ana | 7.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/phonon/1-1D-mono/in.disp | 0.0 | skipped as specified in the test configuration |
| ✓ passed | PACKAGES/phonon/2-1D-diatomic/in.Ana | 18.0 | |
| ○ skipped | PACKAGES/phonon/2-1D-diatomic/in.disp | 0.0 | skipped as specified in the test configuration |
| ⚠ error | PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.EAM3D | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ○ 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 |
| ⚠ error | PACKAGES/phonon/4-Graphene/in.graphene | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ○ skipped | PACKAGES/phonon/dynamical_matrix_command/Silicon/in.silicon | 0.0 | completed, but no Step nor Loop in the output |
| ✗ failed | PACKAGES/pimd/langevin_metal_units/in.langevin.metal | 0.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ✗ failed | PACKAGES/pimd/langevin_metal_units/in.pimd-langevin.metal | 0.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ○ skipped | PACKAGES/pimd/langevin_reduced_units/in.lmp | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/pimd/langevin_reduced_units_group/in.lmp | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/pimd/para-h2/in.scp | 4.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/pimd/prot-hairpin/in.scp | 16.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/pimd_bosonic/harmonic_trap_langevin/in.lmp | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ⚠ error | PACKAGES/pimd_bosonic/harmonic_trap_nvt/in.lmp | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | PACKAGES/plumed/in.peptide-plumed | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'plumed' is part of the PLUMED package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/pod/InP/in.fitpod | 0.0 | failed, ERROR: Cannot fit potential without data files. The data paths may not be valid. Please check the data paths in the POD data file. (src/ML-POD/fitpod_command.cpp:708) |
| ✓ passed | PACKAGES/pod/InP/in.pod | 2.0 | |
| ○ skipped | PACKAGES/pod/Ta/in.fitpod | 0.0 | completed, but no Step nor Loop in the output |
| ✓ passed | PACKAGES/pod/Ta/in.pod | 0.0 | |
| ✓ passed | PACKAGES/pod/Ta/in.pod.compute | 0.0 | |
| ✓ passed | PACKAGES/ptm/in.ptm | 0.0 | |
| ✗ failed | PACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst | 29.0 | completed, 3 abs diff and 4 rel diff checks failed |
| ✗ failed | PACKAGES/qtb/alpha_quartz_qtb/in.alpha_quartz_qtb | 7.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ✓ passed | PACKAGES/qtb/methane_qbmsst/in.methane_qbmsst | 70.0 | |
| ✓ passed | PACKAGES/qtb/methane_qtb/in.methane_qtb | 6.0 | |
| ⚠ error | PACKAGES/quip/in.gap | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized pair style 'quip' is part of the ML-QUIP package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/quip/in.molecular | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized pair style 'quip' is part of the ML-QUIP package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/quip/in.sw | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized pair style 'quip' is part of the ML-QUIP package which is not enabled in this LAMMPS binary. |
| ✓ passed | PACKAGES/rann/in.rann | 5.0 | |
| ✗ failed | PACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene | 7.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ✓ passed | PACKAGES/reaction/nylon,6-6_melt/in.large_nylon_melt | 60.0 | |
| ✓ passed | PACKAGES/reaction/tiny_epoxy/in.tiny_epoxy.stabilized | 0.0 | |
| ✗ failed | PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized | 4.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ✓ passed | PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized_variable_probability | 0.0 | |
| ✓ passed | PACKAGES/reaction/tiny_nylon/in.tiny_nylon.unstabilized | 0.0 | |
| ✗ failed | PACKAGES/reaction/tiny_nylon_json/in.tiny_nylon.stabilized | 4.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ○ skipped | PACKAGES/reaction/tiny_nylon_wildcards/in.tiny_nylon.stabilized | 4.0 | completed, numerical checks skipped due to missing the reference log file |
| ✗ failed | PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized | 18.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ✗ failed | PACKAGES/rhok/in.crystal | 16.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ⚠ error | PACKAGES/rhok/in.pinning | 0.0 | failed, ERROR: Cannot open file data.halfhalf: No such file or directory (src/read_data.cpp:382) |
| ✗ failed | PACKAGES/rhok/in.setup | 12.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ⚠ error | PACKAGES/scafacos/in.scafacos | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/scafacos/in.scafacos.cw.ewald | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/scafacos/in.scafacos.cw.fmm | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/scafacos/in.scafacos.cw.p2nfft | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/scafacos/in.scafacos.cw.p3m | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/scafacos/in.scafacos.ewald | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/scafacos/in.scafacos.fmm | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/scafacos/in.scafacos.hsph.direct | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/scafacos/in.scafacos.hsph.fmm | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/scafacos/in.scafacos.hsph.p2nfft | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/scafacos/in.scafacos.p2nfft | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/scafacos/in.scafacos.p3m | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary. |
| ✓ passed | PACKAGES/shock/hugoniostat/in.hugoniostat | 6.0 | |
| ✓ passed | PACKAGES/shock/msst/in.msst | 5.0 | |
| ✗ failed | PACKAGES/shock/nemd/in.nemd | 8.0 | completed, 8 abs diff and 8 rel diff checks failed |
| ⚠ error | PACKAGES/slater/in.slater | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ○ skipped | PACKAGES/smtbq/in.smatbAgCuPancake | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/smtbq/in.smatbBulkFCC | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/smtbq/in.smtbq.Al | 3.0 | completed, numerical checks skipped due to missing the reference log file |
| ⚠ error | PACKAGES/smtbq/in.smtbq.Al2O3 | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | PACKAGES/smtbq/in.smtbq.TiO2 | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | PACKAGES/sna_nnn_slcsa/in.slcsa | 0.0 | failed, ERROR: Invalid compute slcsa/atom argument: slcsa (src/EXTRA-COMPUTE/compute_slcsa_atom.cpp:115) |
| ✓ passed | PACKAGES/srp/in.srp | 5.0 | |
| ✓ passed | PACKAGES/srp_react/in.srp_react | 57.0 | |
| ✓ passed | PACKAGES/stressprofile/in.cylinder | 3.0 | |
| ✓ passed | PACKAGES/stressprofile/in.flat | 2.0 | |
| ✓ passed | PACKAGES/stressprofile/in.sphere | 1.0 | |
| ✓ passed | PACKAGES/tally/in.force | 1.0 | |
| ✓ passed | PACKAGES/tally/in.pe | 1.0 | |
| ✓ passed | PACKAGES/tally/in.stress | 1.0 | |
| ⚠ error | PACKAGES/temper_npt/in.temper_npt | 0.0 | failed, ERROR: World variable count 8 doesn't match # of partitions 1 (src/variable.cpp:351) |
| ○ skipped | PACKAGES/ti/in.ti_spring | 2.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/tmd/in.tmd | 3.0 | completed, error parsing log.tmd.1 into YAML |
| ✓ passed | PACKAGES/uef/npt_biaxial/in.npt_biaxial | 3.0 | |
| ✓ passed | PACKAGES/uef/nvt_uniaxial/in.nvt_uniaxial | 3.0 | |
| ○ skipped | PACKAGES/uf3/in.uf3.Nb | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ⚠ error | PACKAGES/vtk/in.vtk | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized dump style 'vtk' is part of the VTK package which is not enabled in this LAMMPS binary. |
| ⚠ error | PACKAGES/vtk/in.vtp | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized dump style 'vtk' is part of the VTK package which is not enabled in this LAMMPS binary. |
| ○ skipped | PACKAGES/yaff/mil53al/in.mil53a | 7.0 | completed, error parsing log.mil53a.1 into YAML |
| ○ skipped | PACKAGES/yaff/mof5/in.mof5 | 2.0 | completed, error parsing log.mof5.1 into YAML |
| ⚠ error | QUANTUM/LATTE/in.ch4 | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | QUANTUM/LATTE/in.ch4.plugin | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | QUANTUM/LATTE/in.graphene | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | QUANTUM/LATTE/in.graphene.plugin | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | QUANTUM/LATTE/in.series | 0.0 | failed, unknown command, package not installed, ERROR: Unknown command: mdi connect (src/input.cpp:316) |
| ⚠ error | QUANTUM/LATTE/in.series.plugin | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | QUANTUM/LATTE/in.sucrose | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | QUANTUM/LATTE/in.sucrose.plugin | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | QUANTUM/LATTE/in.uo2 | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | QUANTUM/LATTE/in.uo2.plugin | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | QUANTUM/LATTE/in.water | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | QUANTUM/LATTE/in.water.min | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | QUANTUM/LATTE/in.water.min.plugin | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | QUANTUM/LATTE/in.water.plugin | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | QUANTUM/NWChem/in.series | 0.0 | failed, unknown command, package not installed, ERROR: Unknown command: mdi connect (src/input.cpp:316) |
| ⚠ error | QUANTUM/NWChem/in.series.plugin | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ○ skipped | QUANTUM/NWChem/in.water.mm | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ⚠ error | QUANTUM/NWChem/in.water.qmmm | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qmmm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | QUANTUM/NWChem/in.water.qmmm.plugin | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qmmm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ○ skipped | QUANTUM/NWChem/in.zeolite.mm | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ⚠ error | QUANTUM/NWChem/in.zeolite.qmmm | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qmmm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | QUANTUM/NWChem/in.zeolite.qmmm.plugin | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qmmm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ○ skipped | QUANTUM/PySCF/in.mixture.mm | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ⚠ error | QUANTUM/PySCF/in.mixture.qmmm | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qmmm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | QUANTUM/PySCF/in.mixture.qmmm.plugin | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qmmm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | QUANTUM/PySCF/in.water.qmmm | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qmmm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | QUANTUM/PySCF/in.water.qmmm.plugin | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qmmm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ✗ failed | SPIN/bfo/in.spin.bfo | 7.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ✓ passed | SPIN/cobalt_fcc/in.spin.cobalt_fcc | 3.0 | |
| ✗ failed | SPIN/cobalt_hcp/in.spin.cobalt_hcp | 3.0 | completed, 4 abs diff and 4 rel diff checks failed |
| ✓ passed | SPIN/dipole_spin/in.spin.iron_dipole_cut | 6.0 | |
| ✗ failed | SPIN/dipole_spin/in.spin.iron_dipole_ewald | 12.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ✗ failed | SPIN/dipole_spin/in.spin.iron_dipole_pppm | 12.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ⚠ error | SPIN/gneb/iron/in.gneb.iron | 0.0 | failed, ERROR: Cannot use NEBSpin with a single replica (src/SPIN/neb_spin.cpp:136) |
| ⚠ error | SPIN/gneb/skyrmion/in.gneb.skyrmion | 0.0 | failed, ERROR: Did not assign all atoms correctly |
| ✗ failed | SPIN/iron/in.spin.iron | 0.0 | completed, 4 abs diff and 4 rel diff checks failed |
| ✗ failed | SPIN/iron/in.spin.iron_cubic | 1.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ✓ passed | SPIN/nickel/in.spin.nickel | 2.0 | |
| ✓ passed | SPIN/nickel/in.spin.nickel_cubic | 2.0 | |
| ✓ passed | SPIN/read_restart/in.spin.read_data | 5.0 | |
| ✓ passed | SPIN/read_restart/in.spin.restart | 0.0 | |
| ✓ passed | SPIN/read_restart/in.spin.write_restart | 1.0 | |
| ⚠ error | SPIN/setforce_spin/in.spin.setforce | 0.0 | failed, no Total wall time in the output, [runnervm5mmn9:19686] *** Process received signal *** [runnervm5mmn9:19686] Signal: Segmentation fault (11) [runnervm5mmn9:19686] Signal code: Address not map ... |
| ✓ passed | SPIN/spinmin/in.spin.bfo_min | 6.0 | |
| ✓ passed | SPIN/spinmin/in.spin.bfo_min_cg | 6.0 | |
| ✓ passed | SPIN/spinmin/in.spin.bfo_min_lbfgs | 0.0 | |
| ✓ passed | SPIN/spinmin/in.spin.iron_min | 0.0 | |
| ✓ passed | SPIN/test_problems/validation_nve/in.spin.iron-nve | 2.0 | |
| ✓ passed | SPIN/test_problems/validation_nvt/in.spin.nvt_lattice | 11.0 | |
| ✓ passed | SPIN/test_problems/validation_nvt/in.spin.nvt_spin | 10.0 | |
| ○ skipped | UNITS/in.ar.lj | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | UNITS/in.ar.metal | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | UNITS/in.ar.real | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ✗ failed | VISCOSITY/in.cos.1000SPCE | 38.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✓ passed | VISCOSITY/in.einstein.2d | 42.0 | |
| ✓ passed | VISCOSITY/in.gk.2d | 42.0 | |
| ✓ passed | VISCOSITY/in.mp.2d | 5.0 | |
| ✓ passed | VISCOSITY/in.nemd.2d | 20.0 | |
| ✓ passed | VISCOSITY/in.wall.2d | 11.0 | |
| ✓ passed | airebo/in.airebo | 43.0 | |
| ✓ passed | airebo/in.airebo-0-0 | 3.0 | |
| ✓ passed | airebo/in.airebo-bc | 43.0 | |
| ✓ passed | airebo/in.airebo-m | 47.0 | |
| ✓ passed | airebo/in.rebo2 | 3.0 | |
| ✓ passed | amoeba/in.ubiquitin | 12.0 | |
| ✓ passed | amoeba/in.water_box.amoeba | 8.0 | |
| ✓ passed | amoeba/in.water_box.hippo | 6.0 | |
| ✗ failed | amoeba/in.water_dimer.amoeba | 0.0 | completed, 1 abs diff and 0 rel diff checks failed |
| ✗ failed | amoeba/in.water_dimer.hippo | 0.0 | completed, 1 abs diff and 1 rel diff checks failed |
| ✗ failed | amoeba/in.water_hexamer.amoeba | 0.0 | completed, 1 abs diff and 1 rel diff checks failed |
| ✗ failed | amoeba/in.water_hexamer.hippo | 0.0 | completed, 1 abs diff and 1 rel diff checks failed |
| ✓ passed | atm/in.atm | 11.0 | |
| ○ skipped | balance/in.balance | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | balance/in.balance.bond.fast | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | balance/in.balance.bond.slow | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | balance/in.balance.clock.dynamic | 17.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | balance/in.balance.clock.static | 6.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | balance/in.balance.group.dynamic | 2.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | balance/in.balance.group.static | 2.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | balance/in.balance.kspace | 7.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | balance/in.balance.neigh.dynamic | 17.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | balance/in.balance.neigh.rcb | 4.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | balance/in.balance.neigh.static | 10.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | balance/in.balance.var.dynamic | 17.0 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | body/in.body | 1.0 | |
| ✗ failed | body/in.cubes | 40.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ✓ passed | body/in.pour3d | 0.0 | |
| ✗ failed | body/in.squares | 3.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✗ failed | body/in.wall2d | 2.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ○ skipped | bpm/impact/in.bpm.impact.rotational | 138.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | bpm/impact/in.bpm.impact.spring | 10.0 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | bpm/metamaterial/in.bpm.metamaterial | 73.0 | |
| ✓ passed | bpm/plasticity/in.bpm.plasticity | 127.0 | |
| ✓ passed | bpm/poissons_ratio/in.bpm.poissons_ratio | 44.0 | |
| ⚠ error | bpm/pour/in.bpm.pour | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ✓ passed | bpm/wires/in.bpm.wires | 12.0 | |
| ✗ failed | charmmfsw/in.charmmfsw | 13.0 | completed, 1 abs diff and 1 rel diff checks failed |
| ✗ failed | cmap/in.cmap | 1.0 | completed, 1 abs diff and 1 rel diff checks failed |
| ✗ failed | colloid/in.colloid | 3.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✓ passed | comb/in.comb.Cu | 0.0 | |
| ✓ passed | comb/in.comb.Cu2O.elastic | 14.0 | |
| ✓ passed | comb/in.comb.HfO2 | 3.0 | |
| ✓ passed | comb/in.comb.Si | 0.0 | |
| ✓ passed | comb/in.comb.Si.elastic | 0.0 | |
| ✓ passed | comb/in.comb3 | 7.0 | |
| ✓ passed | controller/in.controller.temp | 9.0 | |
| ✓ passed | controller/in.controller.wall | 26.0 | |
| ✓ passed | coreshell/in.coreshell | 10.0 | |
| ✓ passed | coreshell/in.coreshell.dsf | 21.0 | |
| ✓ passed | coreshell/in.coreshell.thermostats | 13.0 | |
| ✓ passed | coreshell/in.coreshell.wolf | 20.0 | |
| ✓ passed | crack/in.crack | 2.0 | |
| ✗ failed | deposit/in.deposit.atom | 3.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✗ failed | deposit/in.deposit.molecule | 3.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✓ passed | deposit/in.deposit.molecule.rigid-nve-small | 3.0 | |
| ✓ passed | deposit/in.deposit.molecule.rigid-nvt-small | 3.0 | |
| ✓ passed | deposit/in.deposit.molecule.rigid-small | 3.0 | |
| ✗ failed | deposit/in.deposit.molecule.shake | 3.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✓ passed | dipole/in.charge_dipole | 29.0 | |
| ✓ passed | dipole/in.dipole | 0.0 | |
| ○ skipped | dreiding/in.dreiding | 0.0 | completed, error parsing log.dreiding.1 into YAML |
| ✗ failed | eim/in.eim | 3.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ✗ failed | ellipse/in.ellipse.gayberne | 1.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ✗ failed | ellipse/in.ellipse.resquared | 2.0 | completed, 0 abs diff and 2 rel diff checks failed |
| ✓ passed | fire/in.abcfire | 0.0 | |
| ✓ passed | fire/in.abcfire_mod | 0.0 | |
| ✓ passed | fire/in.cg | 0.0 | |
| ✓ passed | fire/in.fire | 0.0 | |
| ✓ passed | fire/in.fire_mod | 0.0 | |
| ✓ passed | fire/in.meam.abcfire | 35.0 | |
| ✓ passed | fire/in.meam.fire | 50.0 | |
| ⚠ error | fire/in.neb.sivac.abcfire | 0.0 | failed, ERROR: Cannot use NEB with a single replica (src/REPLICA/neb.cpp:144) |
| ⚠ error | fire/in.neb.sivac.abcfire_mod | 0.0 | failed, ERROR: Cannot use NEB with a single replica (src/REPLICA/neb.cpp:144) |
| ⚠ error | fire/in.neb.sivac.fire | 0.0 | failed, ERROR: Cannot use NEB with a single replica (src/REPLICA/neb.cpp:144) |
| ⚠ error | fire/in.neb.sivac.fire_mod | 0.0 | failed, ERROR: Cannot use NEB with a single replica (src/REPLICA/neb.cpp:144) |
| ⚠ error | fire/in.neb.sivac.qm | 0.0 | failed, ERROR: Cannot use NEB with a single replica (src/REPLICA/neb.cpp:144) |
| ✓ passed | flow/in.flow.couette | 0.0 | |
| ✓ passed | flow/in.flow.pois | 0.0 | |
| ✓ passed | friction/in.friction | 1.0 | |
| ✓ passed | gjf/in.gjf.vfull | 11.0 | |
| ✓ passed | gjf/in.gjf.vhalf | 11.0 | |
| ✗ failed | granregion/in.granregion.box | 0.0 | completed, 6 abs diff and 10 rel diff checks failed |
| ✓ passed | granregion/in.granregion.funnel | 76.0 | |
| ✓ passed | granregion/in.granregion.mixer | 19.0 | |
| ✗ failed | gransurf/in.line.gran.data | 0.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ✗ failed | gransurf/in.line.gran.global | 0.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ✗ failed | gransurf/in.line.gran.surf | 0.0 | completed, 2 abs diff and 2 rel diff checks failed |
| ✓ passed | gransurf/in.screwfeeder.local | 82.0 | |
| ✗ failed | gransurf/in.tri.gran.data | 0.0 | completed, 5 abs diff and 6 rel diff checks failed |
| ✗ failed | gransurf/in.tri.gran.global | 0.0 | completed, 6 abs diff and 6 rel diff checks failed |
| ✗ failed | gransurf/in.tri.gran.global.stl | 0.0 | completed, 6 abs diff and 6 rel diff checks failed |
| ✗ failed | gransurf/in.tri.gran.surf | 0.0 | completed, 4 abs diff and 6 rel diff checks failed |
| ✗ failed | gransurf/in.tri.gran.surf.stl | 0.0 | completed, 4 abs diff and 6 rel diff checks failed |
| ✗ failed | gransurf/in.tribox.gran.data | 1.0 | completed, 7 abs diff and 10 rel diff checks failed |
| ✗ failed | gransurf/in.tribox.gran.global | 1.0 | completed, 4 abs diff and 10 rel diff checks failed |
| ✗ failed | gransurf/in.tribox.gran.global.stl | 0.0 | completed, 4 abs diff and 6 rel diff checks failed |
| ✗ failed | gransurf/in.tribox.gran.surf | 1.0 | completed, 6 abs diff and 10 rel diff checks failed |
| ✗ failed | gransurf/in.tribox.gran.surf.stl | 1.0 | completed, 6 abs diff and 10 rel diff checks failed |
| ✓ passed | granular/in.pour.drum | 12.0 | |
| ✓ passed | granular/in.pour.flatwall | 7.0 | |
| ✓ passed | granular/in.pour.heat | 88.0 | |
| ✓ passed | granular/in.restitution | 0.0 | |
| ✓ passed | granular/in.sync_verlet | 0.0 | |
| ✓ passed | granular/in.tableting.200 | 15.0 | |
| ✓ passed | granular/in.triaxial.compaction.12 | 0.0 | |
| ✓ passed | grid/in.grid.2d | 0.0 | |
| ✓ passed | grid/in.grid.3d | 0.0 | |
| ✓ passed | grid/in.sph | 28.0 | |
| ⚠ error | hyper/in.hyper.global | 0.0 | failed, ERROR: Support for writing images in JPEG format not included (src/GRAPHICS/dump_image.cpp:178) |
| ⚠ error | hyper/in.hyper.local | 0.0 | failed, ERROR: Support for writing images in JPEG format not included (src/GRAPHICS/dump_image.cpp:178) |
| ✓ passed | indent/in.indent | 2.0 | |
| ✓ passed | indent/in.indent.min | 0.0 | |
| ⚠ error | kim/in.kim-ex.melt | 0.0 | failed, unknown command, package not installed, ERROR: Unknown command: kim init LennardJones_Ar real (src/input.cpp:316) |
| ⚠ error | kim/in.kim-pm-property | 0.0 | failed, unknown command, package not installed, ERROR: Unknown command: kim init LJ_Shifted_Bernardes_1958MedCutoff_Ar__MO_126566794224_004 metal (src/input.cpp:316) |
| ⚠ error | kim/in.kim-pm-query.melt | 0.0 | failed, unknown command, package not installed, ERROR: Unknown command: kim init SW_StillingerWeber_1985_Si__MO_405512056662_005 real (src/input.cpp:316) |
| ⚠ error | kim/in.kim-pm.melt | 0.0 | failed, unknown command, package not installed, ERROR: Unknown command: kim init SW_StillingerWeber_1985_Si__MO_405512056662_005 real (src/input.cpp:316) |
| ⚠ error | kim/in.kim-query | 0.0 | failed, unknown command, package not installed, ERROR: Unknown command: kim init EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005 metal (src/input.cpp:316) |
| ⚠ error | kim/in.kim-sm.melt | 0.0 | failed, unknown command, package not installed, ERROR: Unknown command: kim init Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_000 real (src/input.cpp:316) |
| ○ skipped | kim/in.lammps.melt | 1.0 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | mc/in.gcmc.co2 | 15.0 | |
| ✗ failed | mc/in.gcmc.h2o | 158.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✓ passed | mc/in.gcmc.lj | 12.0 | |
| ✓ passed | mc/in.gcmc.restart | 10.0 | |
| ⚠ error | mc/in.gemc.lj | 0.0 | failed, ERROR: Numeric index 2 is out of bounds (1-1) |
| ✓ passed | mc/in.hmc.flexible.melt | 16.0 | |
| ✗ failed | mc/in.hmc.rigid | 13.0 | completed, 6 abs diff and 6 rel diff checks failed (last OK: 2026-07-03T12-15-00_ca0dd9fb08) |
| ○ skipped | mc/in.mixed | 56.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | mc/in.pure | 56.0 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | mc/in.sgcmc.eam | 43.0 | |
| ✓ passed | mc/in.widom.lj | 8.0 | |
| ✗ failed | mc/in.widom.spce | 45.0 | completed, 2 abs diff and 0 rel diff checks failed |
| ○ skipped | mdi/in.aimd.alone | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ⚠ error | mdi/in.aimd.driver | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | mdi/in.aimd.driver.plugin | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | mdi/in.aimd.engine | 0.0 | failed, unknown command, package not installed, ERROR: Unknown command: mdi engine (src/input.cpp:316) |
| ⚠ error | mdi/in.aimdpy.mm | 0.0 | failed, unknown command, package not installed, ERROR: Unknown command: mdi engine (src/input.cpp:316) |
| ⚠ error | mdi/in.aimdpy.qm | 0.0 | failed, unknown command, package not installed, ERROR: Unknown command: mdi engine (src/input.cpp:316) |
| ⚠ error | mdi/in.sequence.python | 0.0 | failed, unknown command, package not installed, ERROR: Unknown command: mdi engine (src/input.cpp:316) |
| ○ skipped | mdi/in.series.alone | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ⚠ error | mdi/in.series.driver | 0.0 | failed, unknown command, package not installed, ERROR: Unknown command: mdi connect (src/input.cpp:316) |
| ⚠ error | mdi/in.series.driver.plugin | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | mdi/in.series.engine | 0.0 | failed, unknown command, package not installed, ERROR: Unknown command: mdi engine (src/input.cpp:316) |
| ○ skipped | mdi/in.snapshot.alone | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ⚠ error | mdi/in.snapshot.driver | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | mdi/in.snapshot.driver.plugin | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'mdi/qm' is part of the MDI package which is not enabled in this LAMMPS binary. |
| ⚠ error | mdi/in.snapshot.engine | 0.0 | failed, unknown command, package not installed, ERROR: Unknown command: mdi engine (src/input.cpp:316) |
| ✓ passed | meam/in.meam | 0.0 | |
| ✗ failed | meam/in.meam.shear | 25.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✓ passed | meam/msmeam/in.msmeam | 0.0 | |
| ✓ passed | melt/in.melt | 0.0 | |
| ✗ failed | mesh/in.marble_race | 99.0 | completed, 5 abs diff and 5 rel diff checks failed |
| ✗ failed | mesh/in.mesh_box | 8.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✗ failed | micelle/in.micelle | 0.0 | completed, 0 abs diff and 1 rel diff checks failed |
| ✓ passed | micelle/in.micelle-rigid | 0.0 | |
| ✓ passed | min/in.min | 0.0 | |
| ✓ passed | min/in.min.box | 2.0 | |
| ○ skipped | mliap/in.mliap.ace.compute | 0.0 | completed, but no Step nor Loop in the output |
| ✓ passed | mliap/in.mliap.nn.Cu | 3.0 | |
| ✓ passed | mliap/in.mliap.nn.Ta06A | 0.0 | |
| ⚠ error | mliap/in.mliap.pytorch.Ta06A | 0.0 | failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:172) |
| ⚠ error | mliap/in.mliap.pytorch.ace | 0.0 | failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:172) |
| ⚠ error | mliap/in.mliap.pytorch.ace.NN | 0.0 | failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:172) |
| ⚠ error | mliap/in.mliap.pytorch.relu1hidden | 0.0 | failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:172) |
| ○ skipped | mliap/in.mliap.quadratic.compute | 0.0 | completed, but no Step nor Loop in the output |
| ✓ passed | mliap/in.mliap.snap.Ta06A | 0.0 | |
| ✓ passed | mliap/in.mliap.snap.WBe.PRB2019 | 2.0 | |
| ✓ passed | mliap/in.mliap.snap.chem | 12.0 | |
| ○ skipped | mliap/in.mliap.snap.compute | 0.0 | completed, but no Step nor Loop in the output |
| ✓ passed | mliap/in.mliap.snap.quadratic | 1.0 | |
| ○ skipped | mliap/in.mliap.so3.Ni_Mo | 0.0 | completed, but no Step nor Loop in the output |
| ✓ passed | mliap/in.mliap.so3.nn.Si | 2.0 | |
| ⚠ error | mliap/in.mliap.unified.lj.Ar | 0.0 | failed, ERROR: Could not process Python string: |
| ⚠ error | mliap/jax/in.run | 0.0 | failed, ERROR: Using pair_style mliap unified requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:212) |
| ✗ failed | multi/in.colloid | 0.0 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✗ failed | multi/in.granular | 1.0 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✗ failed | multi/in.powerlaw | 2.0 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✓ passed | nb3b/in.nb3b | 5.0 | |
| ✓ passed | nb3b/in.nb3b.screened | 42.0 | |
| ⚠ error | neb/in.neb.hop1 | 0.0 | failed, ERROR: Cannot use NEB with a single replica (src/REPLICA/neb.cpp:144) |
| ⚠ error | neb/in.neb.hop1.end | 0.0 | failed, ERROR: Cannot use NEB with a single replica (src/REPLICA/neb.cpp:144) |
| ⚠ error | neb/in.neb.hop2 | 0.0 | failed, ERROR: Cannot use NEB with a single replica (src/REPLICA/neb.cpp:144) |
| ⚠ error | neb/in.neb.sivac | 0.0 | failed, ERROR: Cannot use NEB with a single replica (src/REPLICA/neb.cpp:144) |
| ✓ passed | nemd/in.nemd | 0.0 | |
| ○ skipped | numdiff/in.numdiff | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | obstacle/in.obstacle | 1.0 | |
| ○ skipped | peptide/in.peptide | 3.0 | completed, error parsing log.peptide.1 into YAML |
| ○ skipped | peri/in.peri-pmb | 9.0 | completed, numerical checks skipped due to missing the reference log file |
| ✗ failed | peri/in.peri.eps | 17.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✗ failed | peri/in.peri.lps | 15.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✓ passed | peri/in.peri.pmb | 9.0 | |
| ✗ failed | peri/in.peri.ves | 16.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✓ passed | pour/in.pour | 17.0 | |
| ✓ passed | pour/in.pour.2d | 1.0 | |
| ✓ passed | pour/in.pour.2d.molecule | 2.0 | |
| ○ skipped | prd/in.prd | 2.0 | completed, numerical checks skipped due to missing the reference log file |
| ⚠ error | python/in.fix_python_invoke | 0.0 | failed, ERROR: Could not process Python string: |
| ⚠ error | python/in.fix_python_invoke_neighlist | 0.0 | failed, ERROR: Could not process Python string: |
| ⚠ error | python/in.fix_python_move_nve_melt | 0.0 | failed, ERROR: Loading python integrator module failure (src/PYTHON/fix_python_move.cpp:64) |
| ⚠ error | python/in.fix_python_move_nve_melt_group | 0.0 | failed, ERROR: Loading python integrator module failure (src/PYTHON/fix_python_move.cpp:64) |
| ⚠ error | python/in.fix_python_move_nve_melt_opt | 0.0 | failed, ERROR: Loading python integrator module failure (src/PYTHON/fix_python_move.cpp:64) |
| ✓ passed | python/in.pair_python_coulomb | 2.0 | |
| ✓ passed | python/in.pair_python_harmonic | 26.0 | |
| ✗ failed | python/in.pair_python_hybrid | 8.0 | completed, 0 abs diff and 3 rel diff checks failed |
| ✓ passed | python/in.pair_python_long | 3.0 | |
| ✗ failed | python/in.pair_python_melt | 17.0 | completed, 0 abs diff and 3 rel diff checks failed |
| ✓ passed | python/in.pair_python_spce | 7.0 | |
| ✓ passed | python/in.pair_python_table | 0.0 | |
| ⚠ error | python/in.python | 0.0 | failed, ERROR on proc 0: Python evaluation of function loop failed (src/PYTHON/python_impl.cpp:416) |
| ✓ passed | python/in.python.wrap | 0.0 | |
| ✓ passed | qeq/in.qeq.buck | 21.0 | |
| ✓ passed | qeq/in.qeq.reaxff | 0.0 | |
| ✗ failed | rdf-adf/in.spce | 68.0 | completed, 6 abs diff and 6 rel diff checks failed |
| ✗ failed | rdf-adf/in.spce.hbond | 76.0 | completed, 5 abs diff and 5 rel diff checks failed (last OK: 2026-07-03T12-15-00_ca0dd9fb08) |
| ✓ passed | reaxff/AB/in.AB | 2.0 | |
| ✓ passed | reaxff/AuO/in.AuO | 7.0 | |
| ✓ passed | reaxff/CHO/in.CHO | 3.0 | |
| ✓ passed | reaxff/FC/in.FC | 15.0 | |
| ✓ passed | reaxff/FeOH3/in.FeOH3 | 2.0 | |
| ✓ passed | reaxff/HNS/in.reaxff.hns | 20.0 | |
| ✓ passed | reaxff/RDX/in.RDX | 6.0 | |
| ✓ passed | reaxff/VOH/in.VOH | 2.0 | |
| ✓ passed | reaxff/ZnOH2/in.ZnOH2 | 0.0 | |
| ✓ passed | reaxff/ci-reaxFF/in.ci-reax.CH | 12.0 | |
| ✓ passed | reaxff/in.reaxff.rdx | 0.0 | |
| ✓ passed | reaxff/in.reaxff.rdx-shielded | 0.0 | |
| ✓ passed | reaxff/in.reaxff.tatb | 2.0 | |
| ✓ passed | reaxff/in.reaxff.tatb-shielded | 2.0 | |
| ✓ passed | reaxff/water/in.water.acks2 | 13.0 | |
| ✓ passed | reaxff/water/in.water.acks2.field | 17.0 | |
| ✓ passed | reaxff/water/in.water.qeq | 6.0 | |
| ✓ passed | reaxff/water/in.water.qeq.field | 5.0 | |
| ⚠ error | reaxff/water/in.water.qeqr | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'qeqr/reaxff' (src/modify.cpp:935) |
| ⚠ error | reaxff/water/in.water.qeqr.field | 0.0 | failed, unrecognized command, package not installed, ERROR: Unrecognized fix style 'qeqr/reaxff' (src/modify.cpp:935) |
| ✓ passed | reaxff/water/in.water.qtpie | 7.0 | |
| ✓ passed | reaxff/water/in.water.qtpie.field | 7.0 | |
| ✓ passed | relres/in.22DMH.real | 41.0 | |
| ✓ passed | relres/in.22DMH.relres | 6.0 | |
| ✓ passed | relres/in.22DMH.respa | 4.0 | |
| ✓ passed | replicate/in.replicate.bond.x | 0.0 | |
| ✓ passed | replicate/in.replicate.bond.x.noloop | 0.0 | |
| ✓ passed | replicate/in.replicate.bond.x.y | 0.0 | |
| ✓ passed | replicate/in.replicate.bond.xy | 0.0 | |
| ✓ passed | replicate/in.replicate.cnt | 8.0 | |
| ○ skipped | rerun/in.first | 16.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | rerun/in.rdf.first | 16.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | rerun/in.rdf.rerun | 5.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | rerun/in.read_dump | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | rerun/in.rerun | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ⚠ error | rheo/balloon/in.rheo.balloon | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ○ skipped | rheo/dam-break/in.rheo.dam.break | 118.0 | completed, numerical checks skipped due to missing the reference log file |
| ⚠ error | rheo/ice-cubes/in.rheo.ice.cubes | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ⚠ error | rheo/oxidation/in.rheo.oxidation | 0.0 | failed, no Total wall time in the output, timeout (180s expired) |
| ○ skipped | rheo/poiseuille/in.rheo.poiseuille | 21.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | rheo/taylor-green/in.rheo.taylor.green | 83.0 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | rigid/in.rigid | 0.0 | |
| ✓ passed | rigid/in.rigid.atomfile | 0.0 | |
| ✓ passed | rigid/in.rigid.atomvar | 0.0 | |
| ✓ passed | rigid/in.rigid.early | 0.0 | |
| ✓ passed | rigid/in.rigid.gravity | 0.0 | |
| ✓ passed | rigid/in.rigid.infile | 0.0 | |
| ✓ passed | rigid/in.rigid.molecule | 0.0 | |
| ✗ failed | rigid/in.rigid.nve | 0.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✗ failed | rigid/in.rigid.nve.early | 0.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✓ passed | rigid/in.rigid.property | 0.0 | |
| ✓ passed | rigid/in.rigid.small | 0.0 | |
| ✓ passed | rigid/in.rigid.small.infile | 0.0 | |
| ✗ failed | rigid/in.rigid.tnr | 12.0 | completed, 18 abs diff and 22 rel diff checks failed |
| ✓ passed | shear/in.shear | 3.0 | |
| ✓ passed | shear/in.shear.void | 2.0 | |
| ✓ passed | snap/in.C_SNAP | 29.0 | |
| ✓ passed | snap/in.gaussian.grid | 0.0 | |
| ✓ passed | snap/in.snap.InP.JCPA2020 | 12.0 | |
| ✓ passed | snap/in.snap.Mo_Chen | 0.0 | |
| ✓ passed | snap/in.snap.Ta06A | 0.0 | |
| ✓ passed | snap/in.snap.W.2940 | 2.0 | |
| ✓ passed | snap/in.snap.WBe.PRB2019 | 2.0 | |
| ○ skipped | snap/in.snap.compute | 0.0 | completed, but no Step nor Loop in the output |
| ○ skipped | snap/in.snap.compute.quadratic | 0.0 | completed, but no Step nor Loop in the output |
| ○ skipped | snap/in.snap.grid | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | snap/in.snap.grid.triclinic | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | snap/in.snap.hybrid.WSNAP.HePair | 2.0 | |
| ○ skipped | snap/in.snap.scale.Ni_Zuo_JCPA2020 | 3.0 | completed, numerical checks skipped due to missing the reference log file |
| ✗ failed | srd/in.srd.mixture | 2.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✓ passed | srd/in.srd.pure | 4.0 | |
| ✓ passed | steinhardt/in.bcc | 0.0 | |
| ✓ passed | steinhardt/in.fcc | 0.0 | |
| ✓ passed | steinhardt/in.icos | 1.0 | |
| ✓ passed | streitz/in.ctip | 169.0 | |
| ○ skipped | streitz/in.gan | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ✗ failed | streitz/in.streitz.ewald | 38.0 | completed, 1 abs diff and 2 rel diff checks failed |
| ✗ failed | streitz/in.streitz.wolf | 40.0 | failed, mismatched columns in the log files |
| ✓ passed | stress_vcm/in.stress_vcm | 14.0 | |
| ⚠ error | tad/in.tad | 0.0 | failed, ERROR: Cannot use TAD with a single replica for NEB (src/REPLICA/tad.cpp:83) |
| ✗ failed | template/in.hybrid | 6.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✗ failed | template/in.mol-data-mix | 16.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✓ passed | template/in.mol-restart-mix | 38.0 | |
| ✗ failed | template/in.molecular-mix | 22.0 | completed, 5 abs diff and 5 rel diff checks failed |
| ✗ failed | template/in.template-mix | 22.0 | completed, 5 abs diff and 5 rel diff checks failed |
| ✗ failed | template/in.tmpl-data-mix | 16.0 | completed, 3 abs diff and 3 rel diff checks failed |
| ✓ passed | template/in.tmpl-restart-mix | 38.0 | |
| ✓ passed | tersoff/in.hBN_shift | 0.0 | |
| ✓ passed | tersoff/in.tersoff | 0.0 | |
| ✓ passed | threebody/in.mos2-bulk | 0.0 | |
| ✓ passed | threebody/in.mos2.rebomos | 19.0 | |
| ○ skipped | threebody/in.mos2.sw.mod | 2.0 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | threebody/in.threebody | 1.0 | |
| ○ skipped | tracker/in.track | 0.0 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | triclinic/in.bcc.orthog | 0.0 | |
| ✓ passed | triclinic/in.bcc.primitive | 0.0 | |
| ✓ passed | triclinic/in.data.general | 0.0 | |
| ✓ passed | triclinic/in.fcc.orthog | 0.0 | |
| ✓ passed | triclinic/in.fcc.primitive | 0.0 | |
| ✓ passed | triclinic/in.hex.orthog | 0.0 | |
| ✓ passed | triclinic/in.hex.primitive | 0.0 | |
| ✓ passed | triclinic/in.sq2.orthog | 0.0 | |
| ✓ passed | triclinic/in.sq2.primitive | 0.0 | |
| ✓ passed | ttm/in.ttm | 13.0 | |
| ✓ passed | ttm/in.ttm.grid | 13.0 | |
| ✓ passed | ttm/in.ttm.mod | 4.0 | |
| ✓ passed | ttm/in.ttm.thermal | 13.0 | |
| ✓ passed | vashishta/in.vashishta.inp | 0.0 | |
| ✓ passed | vashishta/in.vashishta.sio2 | 0.0 | |
| ✓ passed | vashishta/in.vashishta.table.inp | 0.0 | |
| ✓ passed | vashishta/in.vashishta.table.sio2 | 0.0 | |
| ○ skipped | voronoi/in.voronoi | 5.0 | completed, but no Step nor Loop in the output |
| ○ skipped | voronoi/in.voronoi.2d | 0.0 | completed, but no Step nor Loop in the output |
| ○ skipped | voronoi/in.voronoi.data | 0.0 | completed, but no Step nor Loop in the output |
| ⚠ error | wall/in.wall.block | 0.0 | failed, ERROR on proc 0: Support for writing movies not included (src/GRAPHICS/dump_movie.cpp:51) |
| ✓ passed | wall/in.wall.ccl | 0.0 | |
| ✓ passed | wall/in.wall.diffusive | 0.0 | |
| ✓ passed | wall/in.wall.flow | 5.0 | |
| ⚠ error | wall/in.wall.harmonic.2d | 0.0 | failed, ERROR: Support for writing images in JPEG format not included (src/GRAPHICS/dump_image.cpp:178) |
| ○ skipped | wall/in.wall.harmonic.outside.2d | 1.0 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | wall/in.wall.lepton | 0.0 | |
| ✓ passed | wall/in.wall.maxwell | 0.0 | |
| ✓ passed | wall/in.wall.specular | 0.0 | |
| ⚠ error | wall/in.wall.sphere | 0.0 | failed, ERROR on proc 0: Support for writing movies not included (src/GRAPHICS/dump_movie.cpp:51) |
| ✓ passed | wall/in.wall.table | 0.0 | |
| ○ skipped | yaml/in.yaml | 3.0 | completed, error parsing log.yaml.1 into YAML |