Full Regression: parallel — 2026-09-03T04-56-39Z_d71abe6102
Configuration: 4 MPI tasks · compared with the other configurations at this commit
4 test(s) hit the time limit of the test harness (180 s limit) and are counted apart from the errors: whether they expire depends on the limit in force and on the load of the machine.
80 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 | Full Regression Test / Parallel |
| sha | d71abe6102c44577442ba7f03b7378a83166b9fd |
| branch | develop |
| version | patch_2Sep2026 |
| generated | 2026-09-03T04:56:39Z |
| source_url | https://download.lammps.org/coverage/parallel.json |
| operating_system | OS: Linux "Fedora Linux 44 (Forty Four)" 7.1.8-200.fc44.x86_64 x86_64 |
| git_info | Git info (develop / patch_2Sep2026) |
| compiler | Compiler: Clang C++ Clang 22.1.8 (Fedora 22.1.8-4.fc44) with OpenMP 5.1 |
| compile_flags | -DLAMMPS_GZIP -DLAMMPS_PNG -DLAMMPS_JPEG -DLAMMPS_FFMPEG -DLAMMPS_CURL -DLAMMPS_SMALLBIG |
| config_file | config.yaml |
| lmp_binary | /home/akohlmey/compile/lammps-analyze/build-regression/lmp |
Changes vs 2026-09-02T21-47-51Z_9f04213aff
1 fixed · 4 new tests · 12 removed vs previous run
Fixed (1)
PACKAGES/machdyn/fluid_structure_interaction/in.fluid_structure_interaction
New tests (4)
PACKAGES/mbx/256h2o/in.mbx_h2oPACKAGES/mbx/256h2o_dipole/in.mbx_h2oPACKAGES/mbx/mof_ff_lammps+1_h2o_mbx/in.mbx_mof_1h2oPACKAGES/mbx/na+_slab/in.slab
Removed tests (12)
PACKAGES/mbx/256h2o/in.256h2oPACKAGES/mbx/256h2o_dipole/in.256h2o_dipolePACKAGES/mbx/mof_ff_lammps+1_h2o_mbx/in.mof_1h2oPACKAGES/mbx/na+_slab/in.na+_slabPACKAGES/symmetry/in.lj_binary_fcc_pinvPACKAGES/symmetry/in.lj_diamond_pinvPACKAGES/symmetry/in.lj_fcc_pinvPACKAGES/symmetry/in.lj_pinvPACKAGES/symmetry/in.lj_pm_wyckoffPACKAGES/symmetry/in.sic_c2mc/in.gcmc.regionrigid/in.rigid.small.kk
Needs a fix in the examples tree (30)
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 (17)
PACKAGES/latboltz/diffusingsphere/in.trapnewspherethe run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repositoryPACKAGES/latboltz/microrheology/in.microrheologythe run needs 175 s: a production sized run that should be shortened in the repositoryPACKAGES/latboltz/pit_geometry/in.pitsthe run needs 52 s: a production sized run that should be shortened in the repositoryPACKAGES/latboltz/planewall/in.planewallthe run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repositoryPACKAGES/latboltz/polymer/in.polymerthe run needs 121 s: a production sized run that should be shortened in the repositoryPACKAGES/latboltz/translocation/in.translocationthe run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repositoryPACKAGES/mbx/na+_slab/in.slabthe run needs 97 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.21Jul26.na+_slab.g++.1 in this folder match no input script a ...bpm/metamaterial/in.bpm.metamaterialthe run needs 53 s: a production sized run that should be shortened in the repositorybpm/pour/in.bpm.pourthe run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repositorygransurf/in.screwfeeder.localthe run needs 81 s: a production sized run that should be shortened in the repositorymc/in.gcmc.h2othe run needs 52 s: a production sized run that should be shortened in the repositorymesh/in.marble_racethe run needs 55 s: a production sized run that should be shortened in the repositoryrheo/balloon/in.rheo.balloonthe run needs 146 s: a production sized run that should be shortened in the repositoryrheo/dam-break/in.rheo.dam.breakthe run needs 98 s: a production sized run that should be shortened in the repositoryrheo/ice-cubes/in.rheo.ice.cubesthe run needs 99 s: a production sized run that should be shortened in the repositoryrheo/oxidation/in.rheo.oxidationthe run needs 125 s: a production sized run that should be shortened in the repositorystreitz/in.ctipthe run needs 56 s: a production sized run that should be shortened in the repository
reference log file matches no input (11)
PACKAGES/dpd-smooth/2d-diffusion-in-shear-flow/in.lammpsno reference log file matches this input, while log.28Mar23.2d-diffusion-in-shear-flow.g++.1, log.28Mar23.2d-diffusion-in-shear-flow.g++.4 in this folder match no input script at all: check the namesPACKAGES/dpd-smooth/2d-diffusion/in.lammpsno reference log file matches this input, while log.28Mar23.2d-diffusion.g++.1, log.28Mar23.2d-diffusion.g++.4 in this folder match no input script at all: check the namesPACKAGES/dpd-smooth/equipartition-verification/in.lammpsno reference log file matches this input, while log.28Mar23.equipartition.g++.1, log.28Mar23.equipartition.g++.4 in this folder match no input script at all: check the namesPACKAGES/mbx/256h2o/in.mbx_h2ono reference log file matches this input, while log.21Jul26.256h2o.g++.1 in this folder match no input script at all: check the namesPACKAGES/mbx/256h2o_dipole/in.mbx_h2ono reference log file matches this input, while log.21Jul26.256h2o_dipole.g++.1 in this folder match no input script at all: check the namesPACKAGES/mbx/mof_ff_lammps+1_h2o_mbx/in.mbx_mof_1h2ono reference log file matches this input, while log.21Jul26.mof.g++.1 in this folder match no input script at all: check the namesPACKAGES/mbx/na+_slab/in.slabthe run needs 97 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.21Jul26.na+_slab.g++.1 in this folder match no input script a ...rigid/in.rigid.cubes.multirunno reference log file matches this input, while log.rigid.cubes.gravity.1, log.rigid.cubes.gravity.4, log.rigid.cubes.langevin.1, ... in this folder match no input script at all: check the namessnap/in.snap.gridno reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the namessnap/in.snap.grid.triclinicno reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the namessnap/in.snap.scale.Ni_Zuo_JCPA2020no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
velocities depend on the MPI count (3)
PACKAGES/cauchy/in.cauchystatvelocity create with the default "loop all" and atoms from create_atoms: cannot match log.2Jun2020.cauchystat.g++.1, which was written with 1 MPI processes instead of 4bpm/plasticity/in.bpm.plasticityvelocity create with the default "loop all" and atoms from create_atoms: cannot match log.19Nov2024.bpm.plasticity.g++.1, which was written with 1 MPI processes instead of 4bpm/poissons_ratio/in.bpm.poissons_ratiovelocity create with the default "loop all" and atoms from create_atoms: cannot match log.19Nov2024.bpm.poissons_ratio.g++.1, which was written with 1 MPI processes instead of 4
Worth investigating (60)
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 (5)
PACKAGES/dpd-meso/mdpd/in.mdpddiffers in the very first thermo outputPACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsstdiffers in the very first thermo outputrdf-adf/in.spcediffers in the very first thermo outputreaxff/CHO/in.CHOdiffers in the very first thermo outputstreitz/in.streitz.ewalddiffers in the very first thermo output
Differs within the first 200 steps (55)
ASPHERE/dimer/in.dimerdiffers from step 0 on (output row 11)ASPHERE/tri/in.tri.srddiffers from step 100 on (output row 1)PACKAGES/baoab/in.baoab_ljdiffers from step 200 on (output row 13)PACKAGES/dpd-basic/dpd/in.dpddiffers from step 100 on (output row 1)PACKAGES/dpd-basic/dpdext/in.dpdextdiffers from step 100 on (output row 1)PACKAGES/dpd-meso/edpd/in.edpddiffers from step 100 on (output row 1)PACKAGES/dpd-meso/edpd/in.edpd-regiondiffers from step 100 on (output row 1)PACKAGES/dpd-meso/tdpd/in.tdpddiffers from step 200 on (output row 4)PACKAGES/dpd-meso/tdpd/in.tdpd-regiondiffers from step 200 on (output row 4)PACKAGES/drude/butane/in.butane.langdiffers from step 100 on (output row 2)PACKAGES/drude/butane/in.butane.nhdiffers from step 100 on (output row 2)PACKAGES/drude/butane/in.butane.tgnhdiffers from step 100 on (output row 2)PACKAGES/drude/ethanol/in.ethanol.langdiffers from step 40 on (output row 2)PACKAGES/drude/ethanol/in.ethanol.nhdiffers from step 80 on (output row 4)PACKAGES/drude/ethanol/in.ethanol.tgnhdiffers from step 80 on (output row 4)PACKAGES/drude/ethylene_glycol/in.ethylene_glycoldiffers from step 50 on (output row 1)PACKAGES/drude/swm4-ndp/in.swm4-ndp.langdiffers from step 20 on (output row 1)PACKAGES/drude/swm4-ndp/in.swm4-ndp.nhdiffers from step 40 on (output row 2)PACKAGES/drude/toluene/in.toluene.langdiffers from step 50 on (output row 1)PACKAGES/drude/toluene/in.toluene.nhdiffers from step 50 on (output row 1)PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.angdiffers from step 63 on (output row 1)PACKAGES/eff/fixed-core/CH4/in.CH4fc.angdiffers from step 30 on (output row 3)PACKAGES/extep/in.extep-bndiffers from step 20 on (output row 2)PACKAGES/filter_corotate/in.peptidediffers from step 100 on (output row 2)PACKAGES/grem/lj-single/in.gREM-nptdiffers from step 10 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/machdyn/rubber_rings_3d/in.rubber_rings_3ddiffers 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/neighbor-swap/in.KMC_pulse_centerdiffers from step 100 on (output row 2)PACKAGES/neighbor-swap/in.KMC_pulse_edgediffers from step 100 on (output row 2)PACKAGES/pedone/in.pedone.relaxdiffers from step 200 on (output row 2)PACKAGES/qtb/methane_qbmsst/in.methane_qbmsstdiffers from step 40 on (output row 2)PACKAGES/qtb/methane_qtb/in.methane_qtbdiffers from step 50 on (output row 1)charmmfsw/in.charmmfswdiffers from step 20 on (output row 2)coreshell/in.coreshelldiffers 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)eim/in.eimdiffers from step 50 on (output row 1)mc/in.hmc.rigiddiffers from step 100 on (output row 1)micelle/in.micelle-rigiddiffers from step 50 on (output row 12)rdf-adf/in.spce.hbonddiffers from step 200 on (output row 2)reaxff/AB/in.ABdiffers from step 100 on (output row 1)reaxff/AuO/in.AuOdiffers from step 5 on (output row 1)reaxff/FeOH3/in.FeOH3differs from step 100 on (output row 1)reaxff/HNS/in.reaxff.hnsdiffers from step 10 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)- ... and 5 more
Differs after 200 to 1000 steps (35)
ASPHERE/box/in.boxdiffers from step 1000 on (output row 12)ASPHERE/box/in.box.mpdiffers from step 1000 on (output row 12)ASPHERE/line/in.linediffers from step 1000 on (output row 1)ASPHERE/star/in.stardiffers from step 1000 on (output row 12)ASPHERE/star/in.star.mpdiffers from step 1000 on (output row 12)PACKAGES/addtorque_group/in.addtorquediffers from step 1000 on (output row 1)PACKAGES/bocs/in.methanoldiffers from step 500 on (output row 1)PACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_longdiffers from step 500 on (output row 5)PACKAGES/eff/Auger-Adamantane/in.adamantane_ionized.nvediffers from step 818 on (output row 1)PACKAGES/machdyn/funnel_flow/in.funnel_flowdiffers from step 800 on (output row 9)PACKAGES/manybody_table/in.spcediffers from step 600 on (output row 6)PACKAGES/manybody_table/in.spce2differs from step 600 on (output row 6)PACKAGES/pafi/in.pafidiffers from step 500 on (output row 8)PACKAGES/pedone/in.pedone.meltdiffers from step 500 on (output row 5)PACKAGES/qtb/alpha_quartz_qtb/in.alpha_quartz_qtbdiffers from step 500 on (output row 1)PACKAGES/reaction/create_atoms_polystyrene/in.grow_styrenediffers from step 300 on (output row 3)PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilizeddiffers from step 700 on (output row 14)PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized_variable_probabilitydiffers from step 400 on (output row 8)PACKAGES/reaction/tiny_nylon_json/in.tiny_nylon.stabilizeddiffers from step 700 on (output row 14)PACKAGES/reaction/tiny_nylon_wildcards/in.tiny_nylon.stabilizeddiffers from step 550 on (output row 11)PACKAGES/shock/nemd/in.nemddiffers from step 800 on (output row 12)PACKAGES/tracker/in.trackdiffers from step 1000 on (output row 20)balance/in.balance.kspacediffers from step 300 on (output row 6)body/in.cubesdiffers from step 1000 on (output row 1)body/in.squaresdiffers from step 1000 on (output row 1)body/in.wall2ddiffers from step 1000 on (output row 1)controller/in.controller.walldiffers from step 500 on (output row 1)granregion/in.granregion.boxdiffers from step 400 on (output row 4)micelle/in.micellediffers from step 1000 on (output row 41)python/in.pair_python_hybriddiffers from step 300 on (output row 7)python/in.pair_python_meltdiffers from step 300 on (output row 7)srd/in.srd.mixturediffers from step 700 on (output row 9)template/in.hybriddiffers from step 800 on (output row 8)template/in.molecular-mixdiffers from step 204 on (output row 3)template/in.template-mixdiffers from step 204 on (output row 3)
Differs only after 1000 steps, consistent with chaos (26)
ASPHERE/flat_membrane/in.flat_membranediffers from step 1400 on (output row 7)PACKAGES/eff/fixed-core/CH4/in.CH4fc.bohrdiffers from step 6390 on (output row 641)PACKAGES/gle/in.h2o-quantumdiffers from step 1400 on (output row 14)PACKAGES/gle/in.h2o-smartdiffers from step 1200 on (output row 12)PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilizeddiffers from step 10000 on (output row 1), but the thermo output is too sparse to tell when it startedbalance/in.balancediffers from step 5800 on (output row 58)balance/in.balance.bond.fastdiffers from step 2400 on (output row 24)balance/in.balance.clock.dynamicdiffers from step 1500 on (output row 32)balance/in.balance.var.dynamicdiffers from step 1700 on (output row 37)cmap/in.cmapdiffers from step 12000 on (output row 12)colloid/in.colloiddiffers from step 6000 on (output row 6)ellipse/in.ellipse.gaybernediffers from step 2300 on (output row 24)ellipse/in.ellipse.resquareddiffers from step 2900 on (output row 30)fire/in.firediffers from step 1900 on (output row 29)fire/in.fire_moddiffers from step 1950 on (output row 30)flow/in.flow.couettediffers from step 2500 on (output row 5)flow/in.flow.poisdiffers from step 3000 on (output row 6)friction/in.frictiondiffers from step 10000 on (output row 10)hyper/in.hyper.globaldiffers from step 4000 on (output row 26)indent/in.indentdiffers from step 21000 on (output row 21)mc/in.gcmc.co2differs from step 7000 on (output row 7)mc/in.hmc.flexible.meltdiffers from step 5250 on (output row 106)meam/in.meam.sheardiffers from step 1500 on (output row 20)mesh/in.mesh_boxdiffers from step 1400 on (output row 8)obstacle/in.obstaclediffers from step 4000 on (output row 4)rigid/in.rigid.tnrdiffers from step 4100 on (output row 41)
Not really tested (135)
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 (80)
| 29 | no reference log file, run as a crash test |
| 23 | log file could not be parsed |
| 14 | no reference log file, not shortened |
| 14 | no thermo output to compare |
○ skipped – Not run at all (55)
| 29 | excluded by the test configuration |
| 26 | needs a multi-partition run |
All tests
| Status | Test | Time (s) | Details |
|---|---|---|---|
| ✗ failed | ASPHERE/box/in.box | 4.1 | completed, 2 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12) |
| ✗ failed | ASPHERE/box/in.box.mp | 4.2 | completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12) |
| ✗ failed | ASPHERE/dimer/in.dimer | 2.0 | completed, 3 abs diff and 3 rel diff checks failed differs from step 0 on (output row 11) |
| ○ skipped | ASPHERE/dimer/in.dimer.mp | 0.0 | skipped as specified in the test configuration |
| ✓ passed | ASPHERE/ellipsoid/in.ellipsoid | 2.5 | |
| ✓ passed | ASPHERE/ellipsoid/in.ellipsoid.mp | 3.0 | |
| ✗ failed | ASPHERE/flat_membrane/in.flat_membrane | 4.7 | completed, 2 abs diff and 2 rel diff checks failed differs from step 1400 on (output row 7) |
| ✗ failed | ASPHERE/line/in.line | 2.6 | completed, 2 abs diff and 2 rel diff checks failed differs from step 1000 on (output row 1) |
| ✗ failed | ASPHERE/line/in.line.srd | 10.2 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✓ passed | ASPHERE/poly/in.poly | 2.3 | |
| ✓ passed | ASPHERE/poly/in.poly.mp | 2.3 | |
| ✗ failed | ASPHERE/star/in.star | 2.9 | completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12) |
| ✗ failed | ASPHERE/star/in.star.mp | 2.9 | completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12) |
| ✓ passed | ASPHERE/superellipsoid_gran/in.bowling | 0.5 | |
| ✓ passed | ASPHERE/superellipsoid_gran/in.drop_test | 3.7 | |
| ✓ passed | ASPHERE/superellipsoid_gran/in.ellipsoid_gran | 0.5 | |
| ◉ runtest | ASPHERE/superellipsoid_gran/in.super_table | 0.7 | completed, numerical checks skipped due to missing the reference log file |
| ✗ failed | ASPHERE/tri/in.tri.srd | 39.1 | completed, 4 abs diff and 4 rel diff checks failed differs from step 100 on (output row 1) |
| ✓ passed | ASPHERE/vesicle/in.vesicle | 2.9 | |
| ✓ passed | LEPTON/in.efield-lepton | 2.0 | |
| ✗ failed | PACKAGES/addtorque_group/in.addtorque | 14.1 | completed, 2 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) |
| ○ skipped | PACKAGES/alchemy/in.alloy | 0.0 | skipped, needs a multi-partition run ("fix 2 all alchemy") |
| ○ skipped | PACKAGES/alchemy/in.twowater | 0.0 | skipped, needs a multi-partition run ("fix transform all alchemy") |
| ✗ failed | PACKAGES/baoab/in.baoab_lj | 0.7 | completed, 4 abs diff and 4 rel diff checks failed differs from step 200 on (output row 13) (last OK: 2026-07-28T00-52-56Z_73a17bb8cd) |
| ✓ passed | PACKAGES/bocs/1_site_just_pair_LD/in.basic_ldd | 0.9 | |
| ✓ passed | PACKAGES/bocs/4_sites_LD_SG/in.ldd_create_data | 2.4 | |
| ✓ passed | PACKAGES/bocs/4_sites_LD_SG/in.ldd_molecule | 2.0 | |
| ✗ failed | PACKAGES/bocs/in.methanol | 6.8 | completed, 4 abs diff and 4 rel diff checks failed differs from step 500 on (output row 1) |
| ✓ passed | PACKAGES/bondval/in.hexbto | 4.6 | |
| ✓ passed | PACKAGES/brownian/2d_velocity/in.2d.velocity | 0.6 | |
| ✓ passed | PACKAGES/brownian/align_self/in.alignself_dipole | 1.3 | |
| ✓ passed | PACKAGES/brownian/align_self/in.alignself_quat | 2.0 | |
| ✓ passed | PACKAGES/brownian/asphere/in.2d.ellipsoid | 0.7 | |
| ✓ passed | PACKAGES/brownian/asphere/in.3d.ellipsoid | 0.8 | |
| ✓ passed | PACKAGES/brownian/point/in.2d.point | 0.6 | |
| ✓ passed | PACKAGES/brownian/point/in.3d.point | 0.7 | |
| ✓ passed | PACKAGES/brownian/sphere/in.2d.sphere | 0.6 | |
| ✓ passed | PACKAGES/brownian/sphere/in.3d.sphere | 0.7 | |
| ✓ passed | PACKAGES/brownian/spherical_ABP/in.2d.abp | 1.0 | |
| ✓ passed | PACKAGES/brownian/spherical_ABP/in.3d.ideal_abp | 1.5 | |
| ✗ failed | PACKAGES/cauchy/in.cauchystat | 0.9 | completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.2Jun2020.cauchystat.g++.1, which was written with 1 MPI processes instead of 4 |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxDNA/duplex1/in.duplex1 | 0.6 | |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxDNA/duplex2/in.duplex2 | 0.8 | |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxDNA/potential_file/in.duplex1 | 0.6 | |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxDNA2/dsring/in.dsring | 1.9 | |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex1/in.duplex1 | 0.6 | |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex2/in.duplex2 | 0.7 | |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex3/in.duplex3 | 0.7 | |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxDNA2/potential_file/in.duplex1 | 0.7 | |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxDNA3/duplex2/in.duplex2 | 0.8 | |
| ○ skipped | PACKAGES/cgdna/examples/lj_units/oxDNA3/unique_bp/in.dsring2 | 0.0 | skipped as specified in the test configuration |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxRNA2/duplex2/in.duplex2 | 0.6 | |
| ✓ passed | PACKAGES/cgdna/examples/lj_units/oxRNA2/potential_file/in.duplex2 | 0.7 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxDNA/duplex1/in.duplex1 | 0.7 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxDNA/duplex2/in.duplex2 | 0.7 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxDNA/potential_file/in.duplex1 | 0.7 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxDNA2/dsring/in.dsring | 1.8 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxDNA2/duplex1/in.duplex1 | 0.6 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxDNA2/duplex2/in.duplex2 | 0.7 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxDNA2/duplex3/in.duplex3 | 0.7 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxDNA2/potential_file/in.duplex1 | 0.6 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxDNA3/duplex2/in.duplex2 | 0.7 | |
| ○ skipped | PACKAGES/cgdna/examples/real_units/oxDNA3/unique_bp/in.dsring2 | 0.0 | skipped as specified in the test configuration |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxRNA2/duplex2/in.duplex2 | 0.6 | |
| ✓ passed | PACKAGES/cgdna/examples/real_units/oxRNA2/potential_file/in.duplex2 | 0.7 | |
| ✓ passed | PACKAGES/cgspica/sds-monolayer/in.sds-hybrid | 2.1 | |
| ✓ passed | PACKAGES/cgspica/sds-monolayer/in.sds-regular | 2.2 | |
| ✓ passed | PACKAGES/charge_regulation/in.chreg-acid | 1.3 | |
| ✓ passed | PACKAGES/charge_regulation/in.chreg-acid-real | 0.9 | |
| ✓ passed | PACKAGES/charge_regulation/in.chreg-polymer | 1.0 | |
| ✓ passed | PACKAGES/class2xe/in.NVT_class2xe.script | 0.5 | |
| ✓ passed | PACKAGES/cnp/in.cnp | 4.4 | |
| ✓ passed | PACKAGES/dielectric/in.confined.dof | 2.5 | |
| ✓ passed | PACKAGES/dielectric/in.confined.gmres | 0.6 | |
| ✓ passed | PACKAGES/dielectric/in.confined.icc | 0.7 | |
| ✓ passed | PACKAGES/dielectric/in.nopbc.dof | 0.9 | |
| ✓ passed | PACKAGES/dielectric/in.nopbc.gmres | 0.5 | |
| ✓ passed | PACKAGES/dielectric/in.nopbc.icc | 0.5 | |
| ✓ passed | PACKAGES/diffraction/in.BulkNi | 39.8 | |
| ✓ passed | PACKAGES/dispersion/in.d2 | 1.5 | |
| ✓ passed | PACKAGES/dispersion/in.d3 | 2.2 | |
| ✗ failed | PACKAGES/dpd-basic/dpd/in.dpd | 0.7 | completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | PACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long | 1.1 | completed, 4 abs diff and 4 rel diff checks failed differs from step 500 on (output row 5) (last OK: 2026-07-28T00-52-56Z_73a17bb8cd) |
| ✓ passed | PACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat | 2.8 | |
| ✗ failed | PACKAGES/dpd-basic/dpdext/in.dpdext | 0.8 | completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) |
| ✓ passed | PACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat | 6.0 | |
| ✗ failed | PACKAGES/dpd-meso/edpd/in.edpd | 17.5 | completed, 6 abs diff and 6 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | PACKAGES/dpd-meso/edpd/in.edpd-region | 17.5 | completed, 6 abs diff and 6 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | PACKAGES/dpd-meso/mdpd/in.mdpd | 38.1 | completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output |
| ✗ failed | PACKAGES/dpd-meso/tdpd/in.tdpd | 11.5 | completed, 6 abs diff and 6 rel diff checks failed differs from step 200 on (output row 4) |
| ✗ failed | PACKAGES/dpd-meso/tdpd/in.tdpd-region | 11.9 | completed, 6 abs diff and 6 rel diff checks failed differs from step 200 on (output row 4) |
| ◉ runtest | PACKAGES/dpd-react/dpd-shardlow/in.dpd-shardlow | 0.6 | completed, numerical checks skipped due to missing the reference log file |
| ◉ runtest | PACKAGES/dpd-react/dpd-vv/in.dpd-vv | 0.8 | 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 | 0.6 | completed, numerical checks skipped due to missing the reference log file |
| ◉ runtest | PACKAGES/dpd-react/dpde-vv/in.dpde-vv | 0.8 | 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 | 1.6 | completed, numerical checks skipped due to missing the reference log file |
| ◉ runtest | PACKAGES/dpd-react/dpdp-shardlow/in.dpdp-shardlow | 0.6 | completed, numerical checks skipped due to missing the reference log file |
| ○ skipped | PACKAGES/dpd-react/dpdrx-shardlow/in.dpdrx-shardlow | 0.0 | skipped as specified in the test configuration |
| ◉ runtest | PACKAGES/dpd-react/multi-lucy/in.multi-lucy | 0.8 | completed, numerical checks skipped due to missing the reference log file |
| ◉ runtest | PACKAGES/dpd-smooth/2d-diffusion-in-shear-flow/in.lammps | 0.7 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.28Mar23.2d-diffusion-in-shear-flow.g++.1, log.28Mar23.2d-diffusion-in-shear-flow.g++.4 in this folder match no input script at all: check the names |
| ◉ runtest | PACKAGES/dpd-smooth/2d-diffusion/in.lammps | 0.6 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.28Mar23.2d-diffusion.g++.1, log.28Mar23.2d-diffusion.g++.4 in this folder match no input script at all: check the names |
| ◉ runtest | PACKAGES/dpd-smooth/equipartition-verification/in.lammps | 3.3 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.28Mar23.equipartition.g++.1, log.28Mar23.equipartition.g++.4 in this folder match no input script at all: check the names |
| ✗ failed | PACKAGES/drude/butane/in.butane.lang | 13.8 | completed, 3 abs diff and 4 rel diff checks failed differs from step 100 on (output row 2) |
| ✗ failed | PACKAGES/drude/butane/in.butane.nh | 13.4 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 2) |
| ✗ failed | PACKAGES/drude/butane/in.butane.tgnh | 12.7 | completed, 3 abs diff and 5 rel diff checks failed differs from step 100 on (output row 2) |
| ✗ failed | PACKAGES/drude/ethanol/in.ethanol.lang | 11.2 | completed, 5 abs diff and 5 rel diff checks failed differs from step 40 on (output row 2) |
| ✗ failed | PACKAGES/drude/ethanol/in.ethanol.nh | 13.1 | completed, 5 abs diff and 5 rel diff checks failed differs from step 80 on (output row 4) |
| ✗ failed | PACKAGES/drude/ethanol/in.ethanol.tgnh | 11.7 | completed, 5 abs diff and 5 rel diff checks failed differs from step 80 on (output row 4) |
| ✗ failed | PACKAGES/drude/ethylene_glycol/in.ethylene_glycol | 7.5 | completed, 3 abs diff and 4 rel diff checks failed differs from step 50 on (output row 1) |
| ✗ failed | PACKAGES/drude/swm4-ndp/in.swm4-ndp.lang | 17.9 | completed, 5 abs diff and 5 rel diff checks failed differs from step 20 on (output row 1) |
| ✗ failed | PACKAGES/drude/swm4-ndp/in.swm4-ndp.nh | 18.8 | completed, 5 abs diff and 5 rel diff checks failed differs from step 40 on (output row 2) |
| ✗ failed | PACKAGES/drude/toluene/in.toluene.lang | 18.4 | completed, 3 abs diff and 4 rel diff checks failed differs from step 50 on (output row 1) |
| ✗ failed | PACKAGES/drude/toluene/in.toluene.nh | 20.2 | completed, 5 abs diff and 5 rel diff checks failed differs from step 50 on (output row 1) |
| ✓ passed | PACKAGES/e3b/in.e3b-tip4p2005 | 1.2 | |
| ✓ passed | PACKAGES/edip/in.edip-Si | 0.6 | |
| ✓ passed | PACKAGES/edip/in.edip-Si-multi | 0.6 | |
| ✓ passed | PACKAGES/edip/in.edip-SiC | 0.5 | |
| ✓ passed | PACKAGES/ees/in.fix_wall | 0.6 | |
| ✓ passed | PACKAGES/ees/in.fix_wall_region | 0.9 | |
| ✗ failed | PACKAGES/eff/Auger-Adamantane/in.adamantane_ionized.nve | 35.3 | completed, 7 abs diff and 7 rel diff checks failed differs from step 818 on (output row 1) |
| ✓ passed | PACKAGES/eff/Be-solid/in.Be-solid.spe | 3.5 | |
| ✓ passed | PACKAGES/eff/CH4/in.ch4.dynamics | 1.5 | |
| ✓ passed | PACKAGES/eff/CH4/in.ch4.min | 0.6 | |
| ✓ passed | PACKAGES/eff/CH4/in.ch4_ionized.dynamics | 23.6 | |
| ✓ passed | PACKAGES/eff/ECP/Si2H6/in.Si2H6 | 0.5 | |
| ✓ passed | PACKAGES/eff/ECP/Si2H6/in.Si2H6.ang | 4.1 | |
| ✓ passed | PACKAGES/eff/ECP/SiC/bulk/in.SiC | 6.9 | |
| ◉ runtest | PACKAGES/eff/ECP/SiH4/in.SiH4 | 0.5 | completed, error parsing log.SiH4.4 into YAML |
| ◉ runtest | PACKAGES/eff/ECP/SiH4/in.SiH4.ang | 0.6 | completed, error parsing log.SiH4.ang.4 into YAML |
| ✓ passed | PACKAGES/eff/H/in.h_atom.spe.ang | 0.5 | |
| ✓ passed | PACKAGES/eff/H/in.h_atom.spe.bohr | 0.5 | |
| ✓ passed | PACKAGES/eff/H2/in.h2 | 2.6 | |
| ✓ passed | PACKAGES/eff/H_plasma/in.h2bulk.npt | 10.6 | |
| ✓ passed | PACKAGES/eff/H_plasma/in.h2bulk.nve | 17.5 | |
| ✓ passed | PACKAGES/eff/H_plasma/in.h2bulk.nve.ang | 18.6 | |
| ✓ passed | PACKAGES/eff/Li-dendritic/in.Li-dendritic.min | 8.6 | |
| ✓ passed | PACKAGES/eff/Li-dendritic/in.Li-dendritic.nvt | 15.7 | |
| ✓ passed | PACKAGES/eff/Li-solid/in.Li.ang | 18.7 | |
| ✓ passed | PACKAGES/eff/Li-solid/in.Li.bohr | 12.9 | |
| ✗ failed | PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.ang | 2.2 | completed, 3 abs diff and 5 rel diff checks failed differs from step 63 on (output row 1) |
| ✓ passed | PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.bohr | 0.7 | |
| ✗ failed | PACKAGES/eff/fixed-core/CH4/in.CH4fc.ang | 6.0 | completed, 4 abs diff and 5 rel diff checks failed differs from step 30 on (output row 3) |
| ✗ failed | PACKAGES/eff/fixed-core/CH4/in.CH4fc.bohr | 1.1 | completed, 4 abs diff and 4 rel diff checks failed differs from step 6390 on (output row 641) |
| ✓ passed | PACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.ang | 0.5 | |
| ✓ passed | PACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.bohr | 0.5 | |
| ✓ passed | PACKAGES/electrode/graph-il/in.graph-il-conp | 15.9 | |
| ✓ passed | PACKAGES/electrode/graph-il/in.graph-il-conq | 15.0 | |
| ✓ passed | PACKAGES/electrode/graph-il/in.graph-il-conq2 | 14.8 | |
| ✓ passed | PACKAGES/electrode/graph-il/in.graph-il-etypes | 14.5 | |
| ✓ passed | PACKAGES/electrode/graph-il/in.graph-il-ffield | 12.4 | |
| ✓ passed | PACKAGES/electrode/graph-il/in.graph-il-ramp | 14.7 | |
| ✓ passed | PACKAGES/electrode/graph-il/in.graph-il-thermo | 14.9 | |
| ✓ passed | PACKAGES/electrode/madelung/in.madelung-cg | 0.5 | |
| ✓ passed | PACKAGES/electrode/madelung/in.madelung-eta | 0.5 | |
| ✓ passed | PACKAGES/electrode/madelung/in.madelung-eta_cg | 0.5 | |
| ✓ passed | PACKAGES/electrode/madelung/in.madelung-eta_mix | 0.5 | |
| ✓ passed | PACKAGES/electrode/madelung/in.madelung-ewald-ew2d | 0.5 | |
| ✓ passed | PACKAGES/electrode/madelung/in.madelung-ewald-ew3dc | 0.5 | |
| ✓ passed | PACKAGES/electrode/madelung/in.madelung-ewald-ffield | 0.5 | |
| ✓ passed | PACKAGES/electrode/madelung/in.madelung-pppm-ew3dc | 0.6 | |
| ✓ passed | PACKAGES/electrode/madelung/in.madelung-pppm-ffield | 0.5 | |
| ✓ passed | PACKAGES/electrode/planar/in.planar-ewald-ew2d | 0.6 | |
| ✓ passed | PACKAGES/electrode/planar/in.planar-ewald-ew3dc | 0.6 | |
| ✓ passed | PACKAGES/electrode/planar/in.planar-ewald-ffield | 0.5 | |
| ✓ passed | PACKAGES/electrode/planar/in.planar-pppm-ew3dc | 0.7 | |
| ✓ passed | PACKAGES/electrode/planar/in.planar-pppm-ffield | 0.8 | |
| ✓ passed | PACKAGES/electron_stopping/in.cascade_AlCu | 1.9 | |
| ✓ passed | PACKAGES/electron_stopping/in.cascade_SiSi | 2.9 | |
| ✓ passed | PACKAGES/electron_stopping/in.elstop | 5.9 | |
| ✓ passed | PACKAGES/electron_stopping/in.elstop.only | 0.8 | |
| ◉ runtest | PACKAGES/entropy/in.entropy | 0.9 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ✗ failed | PACKAGES/extep/in.extep-bn | 0.6 | completed, 3 abs diff and 3 rel diff checks failed differs from step 20 on (output row 2) |
| ◉ 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 | 0.9 | 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 | 0.9 | 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 | 0.7 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/fep/CH4-CF4/bar10/in.bar10.lmp | 0.8 | 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 | 0.9 | 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 | 0.8 | 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 | 1.2 | 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 | 1.2 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/fep/CH4hyd/fep01/in.fep01.lmp | 1.0 | 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 | 1.0 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/fep/ta/in.spce.lmp | 2.6 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/filter_corotate/in.bpti | 7.6 | completed, error parsing log.bpti.4 into YAML |
| ✗ failed | PACKAGES/filter_corotate/in.peptide | 27.9 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 2) |
| ✓ passed | PACKAGES/flow_gauss/in.GD | 1.0 | |
| ✓ passed | PACKAGES/frenkel/in.frenkel | 1.3 | |
| ◉ runtest | PACKAGES/gauss_diel/in.gauss-diel | 0.7 | completed, error parsing log.gauss-diel.smoke.4 into YAML |
| ◉ runtest | PACKAGES/gauss_diel/in.gauss-diel-cg | 0.6 | completed, error parsing log.gauss-diel-cg.smoke.4 into YAML |
| ◉ runtest | PACKAGES/gauss_diel/in.gauss-diel-split | 0.6 | completed, error parsing log.gauss-diel-split.smoke.4 into YAML |
| ✓ passed | PACKAGES/gjf/in.gjf.vfull | 3.8 | |
| ✓ passed | PACKAGES/gjf/in.gjf.vhalf | 3.9 | |
| ✗ failed | PACKAGES/gle/in.h2o-quantum | 4.1 | completed, 3 abs diff and 3 rel diff checks failed differs from step 1400 on (output row 14) |
| ✗ failed | PACKAGES/gle/in.h2o-smart | 4.2 | completed, 3 abs diff and 3 rel diff checks failed differs from step 1200 on (output row 12) |
| ○ skipped | PACKAGES/grem/lj-6rep/in.gREM | 0.0 | skipped as specified in the test configuration |
| ✗ failed | PACKAGES/grem/lj-single/in.gREM-npt | 0.6 | completed, 4 abs diff and 4 rel diff checks failed differs from step 10 on (output row 1) (last OK: 2026-07-28T00-52-56Z_73a17bb8cd) |
| ✓ passed | PACKAGES/grem/lj-single/in.gREM-nvt | 0.6 | |
| ○ skipped | PACKAGES/grem/lj-temper/in.gREM-temper | 0.0 | skipped, needs a multi-partition run ("temper/grem") |
| ◉ runtest | PACKAGES/hma/in.hma | 27.0 | completed, but no Step nor Loop in the output |
| ✓ passed | PACKAGES/ilves/in.cg-polymers | 1.5 | |
| ✓ passed | PACKAGES/ilves/in.covid | 28.1 | |
| ◉ runtest | PACKAGES/ilves/in.dimer | 0.8 | completed, error parsing log.dimer.4 into YAML |
| ◉ runtest | PACKAGES/ilves/in.peptide-allbonds | 2.0 | completed, error parsing log.peptide-allbonds.4 into YAML |
| ◉ runtest | PACKAGES/ilves/in.peptide-fixed | 1.7 | completed, error parsing log.peptide-fixed.4 into YAML |
| ◉ runtest | PACKAGES/ilves/in.peptide-ilves | 1.8 | completed, error parsing log.peptide-ilves.4 into YAML |
| ◉ runtest | PACKAGES/ilves/in.peptide-mix | 1.7 | completed, error parsing log.peptide-mix.4 into YAML |
| ◉ runtest | PACKAGES/ilves/in.peptide-rattle | 1.6 | completed, error parsing log.peptide-rattle.4 into YAML |
| ◉ runtest | PACKAGES/ilves/in.peptide-shake | 1.6 | completed, error parsing log.peptide-shake.4 into YAML |
| ✓ passed | PACKAGES/ilves/in.polymelt | 7.9 | |
| ◉ runtest | PACKAGES/ilves/in.rhodo-allbonds | 14.2 | completed, error parsing log.rhodo-allbonds.4 into YAML |
| ◉ runtest | PACKAGES/ilves/in.rhodo-ilves | 12.4 | completed, error parsing log.rhodo-ilves.4 into YAML |
| ◉ runtest | PACKAGES/ilves/in.rhodo-shake | 12.2 | completed, error parsing log.rhodo-shake.4 into YAML |
| ○ skipped | PACKAGES/imd/in.bucky-plus-cnt | 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.melt_imd | 0.0 | skipped as specified in the test configuration |
| ✓ passed | PACKAGES/interlayer/aip_water_2dm/in.gr_water | 7.4 | |
| ✓ passed | PACKAGES/interlayer/aip_water_2dm/in.gr_water.opt | 4.7 | |
| ✗ failed | PACKAGES/interlayer/drip/in.CH_drip | 1.1 | completed, 2 abs diff and 2 rel diff checks failed differs from step 30 on (output row 3) |
| ✓ passed | PACKAGES/interlayer/drip/in.C_drip | 0.9 | |
| ✓ passed | PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene | 16.2 | |
| ✓ passed | PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBN | 17.0 | |
| ✓ passed | PACKAGES/interlayer/ilp_graphene_hbn/in.grhBN | 17.5 | |
| ✓ passed | PACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn | 17.5 | |
| ✗ failed | PACKAGES/interlayer/ilp_tmds/in.mos2 | 12.6 | completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1) |
| ✓ passed | PACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphene | 16.2 | |
| ✓ passed | PACKAGES/interlayer/kolmogorov_crespi_z/in.atom-diffusion | 0.9 | |
| ✓ passed | PACKAGES/interlayer/kolmogorov_crespi_z/in.bilayer-graphene | 0.9 | |
| ✓ passed | PACKAGES/interlayer/saip_metal/in.gold_gr | 2.5 | |
| ✗ failed | PACKAGES/interlayer/saip_metal_tmd/in.au_mos2 | 14.6 | completed, 3 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) |
| ◴ timeout | PACKAGES/latboltz/diffusingsphere/in.trapnewsphere | 180.1 | failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository |
| ✓ passed | PACKAGES/latboltz/microrheology/in.microrheology | 174.6 | the run needs 175 s: a production sized run that should be shortened in the repository |
| ✓ passed | PACKAGES/latboltz/pit_geometry/in.pits | 51.6 | the run needs 52 s: a production sized run that should be shortened in the repository |
| ◴ timeout | PACKAGES/latboltz/planewall/in.planewall | 180.0 | failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository |
| ✓ passed | PACKAGES/latboltz/polymer/in.polymer | 120.7 | the run needs 121 s: a production sized run that should be shortened in the repository |
| ◴ timeout | PACKAGES/latboltz/translocation/in.translocation | 180.0 | failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository |
| ◉ runtest | PACKAGES/local_density/benzene_water/in.benzene_water | 14.5 | completed, but no Step nor Loop in the output |
| ◉ runtest | PACKAGES/local_density/methanol_implicit_water/in.methanol_implicit_water | 14.4 | completed, but no Step nor Loop in the output |
| ✓ passed | PACKAGES/machdyn/aluminum_strip_pull/in.aluminum_strip_pull | 0.9 | |
| ✓ passed | PACKAGES/machdyn/fluid_structure_interaction/in.fluid_structure_interaction | 10.9 | |
| ✗ failed | PACKAGES/machdyn/funnel_flow/in.funnel_flow | 10.8 | completed, 0 abs diff and 1 rel diff checks failed differs from step 800 on (output row 9) |
| ✗ failed | PACKAGES/machdyn/rubber_rings_3d/in.rubber_rings_3d | 7.4 | completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1) |
| ✓ passed | PACKAGES/machdyn/rubber_strip_pull/in.rubber_strip_pull | 1.1 | |
| ✗ failed | PACKAGES/manybody_table/in.spce | 1.5 | completed, 3 abs diff and 3 rel diff checks failed differs from step 600 on (output row 6) |
| ✗ failed | PACKAGES/manybody_table/in.spce2 | 1.5 | completed, 3 abs diff and 3 rel diff checks failed differs from step 600 on (output row 6) |
| ✓ passed | PACKAGES/manybody_table/in.spce_sw | 1.5 | |
| ◉ runtest | PACKAGES/mbx/256h2o/in.mbx_h2o | 16.7 | completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.21Jul26.256h2o.g++.1 in this folder match no input script at all: check the names |
| ◉ runtest | PACKAGES/mbx/256h2o_dipole/in.mbx_h2o | 16.5 | completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.21Jul26.256h2o_dipole.g++.1 in this folder match no input script at all: check the names |
| ◉ runtest | PACKAGES/mbx/mof_ff_lammps+1_h2o_mbx/in.mbx_mof_1h2o | 8.1 | completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.21Jul26.mof.g++.1 in this folder match no input script at all: check the names |
| ◉ runtest | PACKAGES/mbx/na+_slab/in.slab | 96.6 | completed, numerical checks skipped due to missing the reference log file the run needs 97 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.21Jul26.na+_slab.g++.1 in this folder match no input script a ... |
| ✓ passed | PACKAGES/meam_spline/in.meam-spline.Si | 0.9 | |
| ✓ passed | PACKAGES/meam_spline/in.meam-spline.TiO2 | 18.2 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.bcc | 0.5 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.bcc_relax | 1.5 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.dc | 0.5 | |
| ✗ failed | PACKAGES/meam_sw_spline/Si/in.dc_relax | 1.7 | 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 | 2.7 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.fcc | 0.6 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.fcc_relax | 1.6 | |
| ✗ failed | PACKAGES/meam_sw_spline/Si/in.hcp_relax | 1.6 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.sc | 0.5 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.sc_relax | 1.0 | |
| ✓ passed | PACKAGES/meam_sw_spline/Si/in.single_atom | 0.5 | |
| ✓ passed | PACKAGES/meam_sw_spline/Ti/in.alpha | 0.6 | |
| ✗ failed | PACKAGES/meam_sw_spline/Ti/in.alpha_relaxation | 1.1 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✓ passed | PACKAGES/meam_sw_spline/Ti/in.beta | 0.5 | |
| ✗ failed | PACKAGES/meam_sw_spline/Ti/in.energy_conservation.meam.sw | 15.6 | 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 | 0.5 | |
| ✓ passed | PACKAGES/meam_sw_spline/Ti/in.hexagonal | 0.6 | |
| ✓ passed | PACKAGES/meam_sw_spline/Ti/in.omega | 0.5 | |
| ✓ passed | PACKAGES/meam_sw_spline/Ti/in.single_atom | 0.5 | |
| ✓ passed | PACKAGES/mesont/in.film_mesocnt | 3.9 | |
| ✓ passed | PACKAGES/mgpt/in.bcc0 | 0.5 | |
| ✓ passed | PACKAGES/mgpt/in.vac0-bcc | 0.6 | |
| ✓ passed | PACKAGES/mgpt/in.vacmin-bcc | 2.1 | |
| ✓ passed | PACKAGES/ml-runner/in.ml-runner.H2O | 1.2 | |
| ✓ passed | PACKAGES/mofff/in.hkust1 | 0.5 | |
| ✓ passed | PACKAGES/mofff/in.hkust1_long | 0.6 | |
| ✓ passed | PACKAGES/momb/in.system | 7.3 | |
| ✗ failed | PACKAGES/moments/in.converge | 4.9 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✓ passed | PACKAGES/moments/in.simple | 5.7 | |
| ✓ passed | PACKAGES/moments/in.valtest | 0.6 | |
| ◉ runtest | PACKAGES/momentum/in.momentum | 0.5 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ✓ passed | PACKAGES/mop/in.compute_stress_mop | 0.5 | |
| ✗ failed | PACKAGES/neighbor-swap/in.KMC_pulse_center | 14.3 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 2) |
| ✗ failed | PACKAGES/neighbor-swap/in.KMC_pulse_edge | 14.6 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 2) |
| ✓ passed | PACKAGES/orient_eco/in.orient_eco | 30.0 | |
| ✓ passed | PACKAGES/pace/compute/in.compute | 0.6 | |
| ✓ passed | PACKAGES/pace/in.pace.product | 2.4 | |
| ✓ passed | PACKAGES/pace/in.pace.recursive | 2.0 | |
| ✗ failed | PACKAGES/pafi/in.pafi | 1.7 | completed, 0 abs diff and 2 rel diff checks failed differs from step 500 on (output row 8) |
| ✗ failed | PACKAGES/pedone/in.pedone.melt | 3.8 | completed, 3 abs diff and 2 rel diff checks failed differs from step 500 on (output row 5) |
| ✗ failed | PACKAGES/pedone/in.pedone.relax | 5.0 | completed, 2 abs diff and 2 rel diff checks failed differs from step 200 on (output row 2) |
| ◉ runtest | PACKAGES/phonon/1-1D-mono/in.Ana | 0.5 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ○ 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 | 36.7 | |
| ○ skipped | PACKAGES/phonon/2-1D-diatomic/in.disp | 0.0 | skipped as specified in the test configuration |
| ◉ runtest | PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.EAM3D | 0.5 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ○ 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 |
| ◉ runtest | PACKAGES/phonon/4-Graphene/in.graphene | 0.6 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/phonon/dynamical_matrix_command/Silicon/in.silicon | 0.5 | completed, but no Step nor Loop in the output |
| ○ skipped | PACKAGES/pimd/langevin_metal_units/in.langevin.metal | 0.0 | skipped, needs a multi-partition run ("variable ibead uloop") |
| ○ skipped | PACKAGES/pimd/langevin_metal_units/in.pimd-langevin.metal | 0.0 | skipped, needs a multi-partition run ("variable ibead uloop") |
| ○ skipped | PACKAGES/pimd/langevin_reduced_units/in.lmp | 0.0 | skipped, needs a multi-partition run ("variable ibead uloop") |
| ○ skipped | PACKAGES/pimd/langevin_reduced_units_group/in.lmp | 0.0 | skipped, needs a multi-partition run ("variable ibead uloop") |
| ○ skipped | PACKAGES/pimd/para-h2/in.scp | 0.0 | skipped, needs a multi-partition run ("variable ibead uloop") |
| ○ skipped | PACKAGES/pimd/prot-hairpin/in.scp | 0.0 | skipped, needs a multi-partition run ("variable ibead uloop") |
| ○ skipped | PACKAGES/pimd_bosonic/harmonic_trap_langevin/in.lmp | 0.0 | skipped, needs a multi-partition run ("variable ibead uloop") |
| ○ skipped | PACKAGES/pimd_bosonic/harmonic_trap_nvt/in.lmp | 0.0 | skipped, needs a multi-partition run ("variable ibead uloop") |
| ○ 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 | 0.6 | completed, but no Step nor Loop in the output |
| ✓ passed | PACKAGES/pod/Ta/in.pod | 0.6 | |
| ○ skipped | PACKAGES/pod/Ta/in.pod.compute | 0.0 | skipped as specified in the test configuration |
| ✓ passed | PACKAGES/ptm/in.ptm | 0.6 | |
| ✗ failed | PACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst | 12.1 | completed, 3 abs diff and 4 rel diff checks failed differs in the very first thermo output |
| ✗ failed | PACKAGES/qtb/alpha_quartz_qtb/in.alpha_quartz_qtb | 4.0 | completed, 2 abs diff and 2 rel diff checks failed differs from step 500 on (output row 1) |
| ✗ failed | PACKAGES/qtb/methane_qbmsst/in.methane_qbmsst | 36.2 | completed, 2 abs diff and 3 rel diff checks failed differs from step 40 on (output row 2) |
| ✗ failed | PACKAGES/qtb/methane_qtb/in.methane_qtb | 5.6 | completed, 1 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1) |
| ✓ passed | PACKAGES/quip/in.gap | 1.4 | |
| ✓ passed | PACKAGES/quip/in.molecular | 0.6 | |
| ✓ passed | PACKAGES/quip/in.sw | 1.1 | |
| ✗ failed | PACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene | 6.0 | completed, 2 abs diff and 2 rel diff checks failed differs from step 300 on (output row 3) |
| ✓ passed | PACKAGES/reaction/nylon,6-6_melt/in.large_nylon_melt | 15.5 | |
| ✓ passed | PACKAGES/reaction/tiny_epoxy/in.tiny_epoxy.stabilized | 0.9 | |
| ✗ failed | PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized | 1.8 | completed, 2 abs diff and 2 rel diff checks failed differs from step 700 on (output row 14) |
| ✗ failed | PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized_variable_probability | 0.8 | completed, 0 abs diff and 1 rel diff checks failed differs from step 400 on (output row 8) |
| ✓ passed | PACKAGES/reaction/tiny_nylon/in.tiny_nylon.unstabilized | 0.7 | |
| ✗ failed | PACKAGES/reaction/tiny_nylon_json/in.tiny_nylon.stabilized | 2.9 | completed, 2 abs diff and 2 rel diff checks failed differs from step 700 on (output row 14) |
| ✗ failed | PACKAGES/reaction/tiny_nylon_wildcards/in.tiny_nylon.stabilized | 2.9 | completed, 2 abs diff and 2 rel diff checks failed differs from step 550 on (output row 11) (last OK: 2026-08-22T09-32-25Z_320a38e835) |
| ✗ failed | PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized | 9.0 | completed, 2 abs diff and 2 rel diff checks failed differs from step 10000 on (output row 1), but the thermo output is too sparse to tell when it started |
| ✓ passed | PACKAGES/relres/in.22DMH.real | 14.9 | |
| ✓ passed | PACKAGES/relres/in.22DMH.relres | 2.9 | |
| ✓ passed | PACKAGES/relres/in.22DMH.respa | 2.2 | |
| ✓ passed | PACKAGES/rhok/in.crystal | 6.3 | |
| ✓ passed | PACKAGES/rhok/in.pinning | 6.6 | |
| ✓ passed | PACKAGES/rhok/in.setup | 5.7 | |
| ✓ passed | PACKAGES/shock/hugoniostat/in.hugoniostat | 3.3 | |
| ✓ passed | PACKAGES/shock/msst/in.msst | 2.1 | |
| ✗ failed | PACKAGES/shock/nemd/in.nemd | 7.1 | completed, 8 abs diff and 8 rel diff checks failed differs from step 800 on (output row 12) |
| ◉ runtest | PACKAGES/slater/in.slater | 6.4 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/sna_nnn_slcsa/in.slcsa | 9.0 | completed, error parsing log.slcsa.4 into YAML |
| ✓ passed | PACKAGES/srp/in.srp | 2.4 | |
| ✓ passed | PACKAGES/srp_react/in.srp_react | 22.6 | |
| ✓ passed | PACKAGES/stressprofile/in.cylinder | 1.5 | |
| ✓ passed | PACKAGES/stressprofile/in.flat | 1.1 | |
| ✓ passed | PACKAGES/stressprofile/in.sphere | 0.9 | |
| ✓ passed | PACKAGES/tally/in.force | 1.1 | |
| ✓ passed | PACKAGES/tally/in.pe | 1.1 | |
| ✓ passed | PACKAGES/tally/in.stress | 1.1 | |
| ○ skipped | PACKAGES/temper_npt/in.temper_npt | 0.0 | skipped, needs a multi-partition run ("temper/npt") |
| ◉ runtest | PACKAGES/ti/in.ti_spring | 0.6 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/tmd/in.tmd | 1.6 | completed, error parsing log.tmd.4 into YAML |
| ✗ failed | PACKAGES/tracker/in.track | 0.7 | completed, 0 abs diff and 2 rel diff checks failed differs from step 1000 on (output row 20) |
| ✓ passed | PACKAGES/uef/npt_biaxial/in.npt_biaxial | 1.6 | |
| ✓ passed | PACKAGES/uef/nvt_uniaxial/in.nvt_uniaxial | 1.5 | |
| ✓ passed | PACKAGES/uf3/in.uf3.Nb | 0.6 | |
| ◉ runtest | PACKAGES/vtk/in.vtk | 0.6 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/vtk/in.vtp | 0.7 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash |
| ◉ runtest | PACKAGES/yaff/mil53al/in.mil53a | 3.6 | completed, error parsing log.mil53a.4 into YAML |
| ◉ runtest | PACKAGES/yaff/mof5/in.mof5 | 1.2 | completed, error parsing log.mof5.4 into YAML |
| ✓ passed | SPIN/bfo/in.spin.bfo | 2.2 | |
| ✓ passed | SPIN/cobalt_fcc/in.spin.cobalt_fcc | 2.2 | |
| ✓ passed | SPIN/cobalt_hcp/in.spin.cobalt_hcp | 2.7 | |
| ✓ passed | SPIN/dipole_spin/in.spin.iron_dipole_cut | 1.8 | |
| ✓ passed | SPIN/dipole_spin/in.spin.iron_dipole_ewald | 3.1 | |
| ✓ passed | SPIN/dipole_spin/in.spin.iron_dipole_pppm | 2.8 | |
| ○ skipped | SPIN/gneb/iron/in.gneb.iron | 0.0 | skipped, needs a multi-partition run ("fix 3 all neb/spin") |
| ○ skipped | SPIN/gneb/skyrmion/in.gneb.skyrmion | 0.0 | skipped, needs a multi-partition run ("fix 3 all neb/spin") |
| ✓ passed | SPIN/iron/in.spin.iron | 2.0 | |
| ✓ passed | SPIN/iron/in.spin.iron_cubic | 2.0 | |
| ✓ passed | SPIN/nickel/in.spin.nickel | 2.4 | |
| ✓ passed | SPIN/nickel/in.spin.nickel_cubic | 2.2 | |
| ✓ passed | SPIN/read_restart/in.spin.read_data | 1.7 | |
| ✓ passed | SPIN/read_restart/in.spin.restart | 0.9 | |
| ✓ passed | SPIN/read_restart/in.spin.write_restart | 1.5 | |
| ✓ passed | SPIN/setforce_spin/in.spin.setforce | 0.7 | |
| ✓ passed | SPIN/spinmin/in.spin.bfo_min | 1.9 | |
| ✓ passed | SPIN/spinmin/in.spin.bfo_min_cg | 1.8 | |
| ✓ passed | SPIN/spinmin/in.spin.bfo_min_lbfgs | 0.6 | |
| ✓ passed | SPIN/spinmin/in.spin.iron_min | 0.6 | |
| ○ 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 | 0.5 | |
| ✓ passed | UNITS/in.ar.metal | 0.5 | |
| ✓ passed | UNITS/in.ar.real | 0.5 | |
| ✓ passed | airebo/in.airebo | 14.9 | |
| ✓ passed | airebo/in.airebo-0-0 | 1.7 | |
| ✓ passed | airebo/in.airebo-bc | 14.1 | |
| ✓ passed | airebo/in.airebo-m | 15.0 | |
| ✓ passed | airebo/in.rebo2 | 1.7 | |
| ✓ passed | amoeba/in.ubiquitin | 3.6 | |
| ✓ passed | amoeba/in.water_box.amoeba | 3.7 | |
| ✓ passed | amoeba/in.water_box.hippo | 2.5 | |
| ✓ passed | amoeba/in.water_dimer.amoeba | 0.5 | |
| ✓ passed | amoeba/in.water_dimer.hippo | 0.5 | |
| ✓ passed | amoeba/in.water_hexamer.amoeba | 0.5 | |
| ✓ passed | amoeba/in.water_hexamer.hippo | 0.6 | |
| ✓ passed | atm/in.atm | 3.5 | |
| ✗ failed | balance/in.balance | 0.8 | completed, 2 abs diff and 2 rel diff checks failed differs from step 5800 on (output row 58) |
| ✗ failed | balance/in.balance.bond.fast | 0.9 | completed, 2 abs diff and 2 rel diff checks failed differs from step 2400 on (output row 24) |
| ✓ passed | balance/in.balance.bond.slow | 1.2 | |
| ✗ failed | balance/in.balance.clock.dynamic | 5.3 | completed, 1 abs diff and 4 rel diff checks failed differs from step 1500 on (output row 32) |
| ✓ passed | balance/in.balance.clock.static | 2.6 | |
| ✓ passed | balance/in.balance.group.dynamic | 1.2 | |
| ✓ passed | balance/in.balance.group.static | 1.2 | |
| ✗ failed | balance/in.balance.kspace | 2.6 | completed, 3 abs diff and 3 rel diff checks failed differs from step 300 on (output row 6) |
| ✓ passed | balance/in.balance.neigh.dynamic | 4.9 | |
| ✓ passed | balance/in.balance.neigh.rcb | 1.5 | |
| ✓ passed | balance/in.balance.neigh.static | 3.6 | |
| ✗ failed | balance/in.balance.var.dynamic | 6.2 | completed, 0 abs diff and 3 rel diff checks failed differs from step 1700 on (output row 37) |
| ✓ passed | body/in.body | 0.9 | |
| ✗ failed | body/in.cubes | 10.1 | completed, 2 abs diff and 2 rel diff checks failed differs from step 1000 on (output row 1) |
| ✓ passed | body/in.pour3d | 0.8 | |
| ✗ failed | body/in.squares | 3.3 | completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) |
| ✗ failed | body/in.wall2d | 2.7 | completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) |
| ✓ passed | bpm/impact/in.bpm.impact.rotational | 14.4 | |
| ✓ passed | bpm/impact/in.bpm.impact.spring | 3.7 | |
| ✓ passed | bpm/metamaterial/in.bpm.metamaterial | 52.7 | the run needs 53 s: a production sized run that should be shortened in the repository |
| ✓ passed | bpm/peri/benchmark/in.bench.bpm.pmb | 1.1 | |
| ✓ passed | bpm/peri/benchmark/in.bench.legacy.pmb | 1.6 | |
| ✓ passed | bpm/peri/in.bpm.peri.eps | 7.5 | |
| ✓ passed | bpm/peri/in.bpm.peri.lps | 5.9 | |
| ✓ passed | bpm/peri/in.bpm.peri.pmb | 5.0 | |
| ✓ passed | bpm/peri/in.bpm.peri.ves | 7.4 | |
| ✗ failed | bpm/plasticity/in.bpm.plasticity | 33.8 | completed, 0 abs diff and 1 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.19Nov2024.bpm.plasticity.g++.1, which was written with 1 MPI processes instead of 4 |
| ✗ failed | bpm/poissons_ratio/in.bpm.poissons_ratio | 13.6 | completed, 1 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.19Nov2024.bpm.poissons_ratio.g++.1, which was written with 1 MPI processes instead of 4 |
| ◴ timeout | bpm/pour/in.bpm.pour | 180.0 | failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository |
| ✓ passed | bpm/wires/in.bpm.wires | 6.3 | |
| ✗ failed | charmmfsw/in.charmmfsw | 4.7 | completed, 2 abs diff and 1 rel diff checks failed differs from step 20 on (output row 2) |
| ✗ failed | cmap/in.cmap | 1.8 | completed, 1 abs diff and 1 rel diff checks failed differs from step 12000 on (output row 12) |
| ✗ failed | colloid/in.colloid | 2.5 | completed, 3 abs diff and 3 rel diff checks failed differs from step 6000 on (output row 6) |
| ✓ passed | comb/in.comb.Cu | 0.6 | |
| ✓ passed | comb/in.comb.Cu2O.elastic | 4.6 | |
| ✓ passed | comb/in.comb.HfO2 | 1.4 | |
| ✓ passed | comb/in.comb.Si | 0.5 | |
| ✓ passed | comb/in.comb.Si.elastic | 0.7 | |
| ✓ passed | comb/in.comb3 | 3.8 | |
| ✓ passed | controller/in.controller.temp | 2.6 | |
| ✗ failed | controller/in.controller.wall | 5.9 | completed, 2 abs diff and 2 rel diff checks failed differs from step 500 on (output row 1) |
| ✗ failed | coreshell/in.coreshell | 3.0 | completed, 7 abs diff and 9 rel diff checks failed differs from step 50 on (output row 1) |
| ✓ passed | coreshell/in.coreshell.dsf | 5.5 | |
| ✗ failed | coreshell/in.coreshell.thermostats | 4.0 | completed, 12 abs diff and 14 rel diff checks failed differs from step 50 on (output row 1) |
| ✗ failed | coreshell/in.coreshell.wolf | 6.5 | completed, 10 abs diff and 10 rel diff checks failed differs from step 50 on (output row 1) |
| ✓ passed | crack/in.crack | 1.2 | |
| ✓ passed | deposit/in.deposit.atom | 2.5 | |
| ✓ passed | deposit/in.deposit.molecule | 3.2 | |
| ✓ passed | deposit/in.deposit.molecule.rigid-nve-small | 4.3 | |
| ✓ passed | deposit/in.deposit.molecule.rigid-nvt-small | 4.6 | |
| ✓ passed | deposit/in.deposit.molecule.rigid-small | 4.4 | |
| ✓ passed | deposit/in.deposit.molecule.shake | 3.4 | |
| ✓ passed | dipole/in.charge_dipole | 7.6 | |
| ✓ passed | dipole/in.dipole | 0.9 | |
| ◉ runtest | dreiding/in.dreiding | 0.6 | completed, error parsing log.dreiding.4 into YAML |
| ✗ failed | eim/in.eim | 1.6 | completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1) |
| ✗ failed | ellipse/in.ellipse.gayberne | 0.9 | completed, 2 abs diff and 2 rel diff checks failed differs from step 2300 on (output row 24) |
| ✗ failed | ellipse/in.ellipse.resquared | 1.4 | completed, 0 abs diff and 2 rel diff checks failed differs from step 2900 on (output row 30) |
| ✓ passed | fire/in.abcfire | 0.6 | |
| ✗ failed | fire/in.abcfire_mod | 1.0 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✓ passed | fire/in.cg | 0.6 | |
| ✗ failed | fire/in.fire | 0.6 | completed, 0 abs diff and 1 rel diff checks failed differs from step 1900 on (output row 29) |
| ✗ failed | fire/in.fire_mod | 0.6 | completed, 0 abs diff and 1 rel diff checks failed differs from step 1950 on (output row 30) |
| ✓ passed | fire/in.meam.abcfire | 11.2 | |
| ✓ passed | fire/in.meam.fire | 16.8 | |
| ○ skipped | fire/in.neb.sivac.abcfire | 0.0 | skipped, needs a multi-partition run ("variable u uloop") |
| ○ skipped | fire/in.neb.sivac.abcfire_mod | 0.0 | skipped, needs a multi-partition run ("variable u uloop") |
| ○ skipped | fire/in.neb.sivac.fire | 0.0 | skipped, needs a multi-partition run ("variable u uloop") |
| ○ skipped | fire/in.neb.sivac.fire_mod | 0.0 | skipped, needs a multi-partition run ("variable u uloop") |
| ○ skipped | fire/in.neb.sivac.qm | 0.0 | skipped, needs a multi-partition run ("variable u uloop") |
| ✗ failed | flow/in.flow.couette | 0.7 | completed, 2 abs diff and 2 rel diff checks failed differs from step 2500 on (output row 5) |
| ✗ failed | flow/in.flow.pois | 0.7 | completed, 2 abs diff and 2 rel diff checks failed differs from step 3000 on (output row 6) |
| ✗ failed | friction/in.friction | 1.2 | completed, 3 abs diff and 3 rel diff checks failed differs from step 10000 on (output row 10) |
| ✗ failed | granregion/in.granregion.box | 0.9 | completed, 7 abs diff and 10 rel diff checks failed differs from step 400 on (output row 4) |
| ✓ passed | granregion/in.granregion.funnel | 42.3 | |
| ✓ passed | granregion/in.granregion.mixer | 16.1 | |
| ✓ passed | gransurf/in.line.gran.data | 0.8 | |
| ✓ passed | gransurf/in.line.gran.global | 0.7 | |
| ✓ passed | gransurf/in.line.gran.surf | 0.8 | |
| ✓ passed | gransurf/in.screwfeeder.local | 81.2 | the run needs 81 s: a production sized run that should be shortened in the repository |
| ✓ passed | gransurf/in.tri.gran.data | 0.8 | |
| ✓ passed | gransurf/in.tri.gran.global | 0.8 | |
| ✓ passed | gransurf/in.tri.gran.global.stl | 0.8 | |
| ✓ passed | gransurf/in.tri.gran.surf | 0.9 | |
| ✓ passed | gransurf/in.tri.gran.surf.stl | 0.9 | |
| ✓ passed | gransurf/in.tribox.gran.data | 1.7 | |
| ✓ passed | gransurf/in.tribox.gran.global | 1.3 | |
| ✓ passed | gransurf/in.tribox.gran.global.stl | 0.8 | |
| ✓ passed | gransurf/in.tribox.gran.surf | 2.0 | |
| ✓ passed | gransurf/in.tribox.gran.surf.stl | 1.6 | |
| ✓ passed | granular/in.pour.drum | 3.7 | |
| ✓ passed | granular/in.pour.flatwall | 2.9 | |
| ✓ passed | granular/in.pour.heat | 25.8 | |
| ✓ passed | granular/in.restitution | 3.4 | |
| ✓ passed | granular/in.sync_verlet | 1.2 | |
| ✓ passed | granular/in.tableting.200 | 12.6 | |
| ✓ passed | granular/in.triaxial.compaction.12 | 1.6 | |
| ✓ passed | grid/in.grid.2d | 0.6 | |
| ✓ passed | grid/in.grid.3d | 0.7 | |
| ✓ passed | grid/in.sph | 10.3 | |
| ✗ failed | hyper/in.hyper.global | 16.4 | completed, 291 abs diff and 291 rel diff checks failed differs from step 4000 on (output row 26) |
| ✗ failed | hyper/in.hyper.local | 4.0 | failed, thermo checks skipped due to mismatched log files after the first run |
| ✗ failed | indent/in.indent | 1.7 | completed, 6 abs diff and 6 rel diff checks failed differs from step 21000 on (output row 21) |
| ✗ failed | indent/in.indent.min | 0.6 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✓ passed | kim/in.lammps.melt | 1.0 | |
| ✗ failed | mc/in.gcmc.co2 | 8.9 | completed, 3 abs diff and 3 rel diff checks failed differs from step 7000 on (output row 7) |
| ✗ failed | mc/in.gcmc.h2o | 52.4 | completed, 6 abs diff and 6 rel diff checks failed differs from step 1000 on (output row 1) the run needs 52 s: a production sized run that should be shortened in the repository |
| ✓ passed | mc/in.gcmc.lj | 14.4 | |
| ✓ passed | mc/in.gcmc.restart | 7.3 | |
| ○ skipped | mc/in.gemc.lj | 0.0 | skipped, needs a multi-partition run ("partition") |
| ✗ failed | mc/in.hmc.flexible.melt | 5.2 | completed, 3 abs diff and 3 rel diff checks failed differs from step 5250 on (output row 106) |
| ✗ failed | mc/in.hmc.rigid | 8.2 | completed, 6 abs diff and 6 rel diff checks failed differs from step 100 on (output row 1) |
| ✓ passed | mc/in.mixed | 13.2 | |
| ✓ passed | mc/in.pure | 12.7 | |
| ✓ passed | mc/in.sgcmc.eam | 15.5 | |
| ✓ passed | mc/in.widom.lj | 1.5 | |
| ○ skipped | mc/in.widom.spce | 0.0 | skipped as specified in the test configuration |
| ✓ passed | meam/in.meam | 0.5 | |
| ✗ failed | meam/in.meam.shear | 8.3 | completed, 3 abs diff and 3 rel diff checks failed differs from step 1500 on (output row 20) |
| ✓ passed | meam/msmeam/in.msmeam | 0.5 | |
| ✓ passed | melt/in.melt | 0.6 | |
| ✗ failed | mesh/in.marble_race | 55.3 | completed, 5 abs diff and 5 rel diff checks failed differs in the very first thermo output the run needs 55 s: a production sized run that should be shortened in the repository |
| ✗ failed | mesh/in.mesh_box | 3.1 | completed, 3 abs diff and 3 rel diff checks failed differs from step 1400 on (output row 8) |
| ✗ failed | micelle/in.micelle | 0.6 | completed, 0 abs diff and 1 rel diff checks failed differs from step 1000 on (output row 41) |
| ✗ failed | micelle/in.micelle-rigid | 0.6 | completed, 6 abs diff and 6 rel diff checks failed differs from step 50 on (output row 12) |
| ✓ passed | min/in.min | 0.5 | |
| ✗ failed | min/in.min.box | 1.1 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ◉ runtest | mliap/in.mliap.ace.compute | 0.6 | completed, but no Step nor Loop in the output |
| ✓ passed | mliap/in.mliap.nn.Cu | 1.4 | |
| ✓ passed | mliap/in.mliap.nn.Ta06A | 0.8 | |
| ○ skipped | mliap/in.mliap.pytorch.Ta06A | 0.0 | skipped as specified in the test configuration |
| ○ skipped | mliap/in.mliap.pytorch.ace | 0.0 | skipped as specified in the test configuration |
| ○ skipped | mliap/in.mliap.pytorch.ace.NN | 0.0 | skipped as specified in the test configuration |
| ○ skipped | mliap/in.mliap.pytorch.relu1hidden | 0.0 | skipped as specified in the test configuration |
| ◉ runtest | mliap/in.mliap.quadratic.compute | 0.5 | completed, but no Step nor Loop in the output |
| ✓ passed | mliap/in.mliap.snap.Ta06A | 0.7 | |
| ✓ passed | mliap/in.mliap.snap.WBe.PRB2019 | 1.1 | |
| ✓ passed | mliap/in.mliap.snap.chem | 3.7 | |
| ◉ runtest | mliap/in.mliap.snap.compute | 0.5 | completed, but no Step nor Loop in the output |
| ✓ passed | mliap/in.mliap.snap.quadratic | 0.9 | |
| ◉ runtest | mliap/in.mliap.so3.Ni_Mo | 0.5 | completed, but no Step nor Loop in the output |
| ✓ passed | mliap/in.mliap.so3.nn.Si | 1.2 | |
| ○ skipped | mliap/in.mliap.unified.lj.Ar | 0.0 | skipped as specified in the test configuration |
| ✗ failed | multi/in.colloid | 0.7 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✗ failed | multi/in.granular | 0.8 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✗ failed | multi/in.powerlaw | 1.2 | failed, thermo checks skipped due to mismatched number of steps in the log files |
| ✓ passed | nb3b/in.nb3b | 1.7 | |
| ✓ passed | nb3b/in.nb3b.screened | 9.7 | |
| ○ skipped | neb/in.neb.hop1 | 0.0 | skipped, needs a multi-partition run ("variable u uloop") |
| ○ skipped | neb/in.neb.hop1.end | 0.0 | skipped, needs a multi-partition run ("variable u uloop") |
| ○ skipped | neb/in.neb.hop2 | 0.0 | skipped, needs a multi-partition run ("variable u uloop") |
| ○ skipped | neb/in.neb.sivac | 0.0 | skipped, needs a multi-partition run ("variable u uloop") |
| ✓ passed | nemd/in.nemd | 0.6 | |
| ✓ passed | numdiff/in.numdiff | 0.6 | |
| ✗ failed | obstacle/in.obstacle | 1.0 | completed, 2 abs diff and 2 rel diff checks failed differs from step 4000 on (output row 4) |
| ◉ runtest | peptide/in.peptide | 1.6 | completed, error parsing log.peptide.4 into YAML |
| ✓ passed | peri/in.peri-pmb | 3.6 | |
| ✓ passed | peri/in.peri.eps | 6.1 | |
| ✓ passed | peri/in.peri.lps | 5.3 | |
| ✓ passed | peri/in.peri.pmb | 3.5 | |
| ✓ passed | peri/in.peri.ves | 6.7 | |
| ✓ passed | pour/in.pour | 4.9 | |
| ✓ passed | pour/in.pour.2d | 1.1 | |
| ✓ passed | pour/in.pour.2d.molecule | 1.3 | |
| ○ skipped | prd/in.prd | 0.0 | skipped, needs a multi-partition run ("prd") |
| ✓ passed | python/in.fix_python_invoke | 0.8 | |
| ◉ runtest | python/in.fix_python_invoke_neighlist | 0.7 | completed, numerical checks skipped due to missing the reference log file |
| ✓ passed | python/in.fix_python_move_nve_melt | 1.9 | |
| ✓ passed | python/in.fix_python_move_nve_melt_group | 1.4 | |
| ✓ passed | python/in.fix_python_move_nve_melt_opt | 0.8 | |
| ✓ passed | python/in.pair_python_coulomb | 1.4 | |
| ✓ passed | python/in.pair_python_harmonic | 8.2 | |
| ✗ failed | python/in.pair_python_hybrid | 3.3 | completed, 0 abs diff and 3 rel diff checks failed differs from step 300 on (output row 7) |
| ✓ passed | python/in.pair_python_long | 2.2 | |
| ✗ failed | python/in.pair_python_melt | 5.5 | completed, 0 abs diff and 3 rel diff checks failed differs from step 300 on (output row 7) |
| ✓ passed | python/in.pair_python_spce | 3.1 | |
| ✓ passed | python/in.pair_python_table | 0.7 | |
| ✓ passed | python/in.python | 0.7 | |
| ✓ passed | python/in.python.wrap | 0.5 | |
| ✓ passed | qeq/in.qeq.buck | 5.3 | |
| ✓ passed | qeq/in.qeq.reaxff | 0.6 | |
| ✗ failed | rdf-adf/in.spce | 22.2 | completed, 6 abs diff and 6 rel diff checks failed differs in the very first thermo output |
| ✗ failed | rdf-adf/in.spce.hbond | 18.4 | completed, 5 abs diff and 5 rel diff checks failed differs from step 200 on (output row 2) |
| ✗ failed | reaxff/AB/in.AB | 2.0 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | reaxff/AuO/in.AuO | 3.1 | completed, 1 abs diff and 2 rel diff checks failed differs from step 5 on (output row 1) |
| ✗ failed | reaxff/CHO/in.CHO | 2.5 | completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output |
| ✓ passed | reaxff/FC/in.FC | 4.0 | |
| ✗ failed | reaxff/FeOH3/in.FeOH3 | 1.9 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | reaxff/HNS/in.reaxff.hns | 7.0 | completed, 1 abs diff and 1 rel diff checks failed differs from step 10 on (output row 1) |
| ✓ passed | reaxff/RDX/in.RDX | 3.0 | |
| ✗ failed | reaxff/VOH/in.VOH | 1.7 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✗ failed | reaxff/ZnOH2/in.ZnOH2 | 0.9 | completed, 2 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1) |
| ✓ passed | reaxff/ci-reaxFF/in.ci-reax.CH | 5.7 | |
| ✓ passed | reaxff/in.reaxff.rdx | 0.6 | |
| ✓ passed | reaxff/in.reaxff.rdx-shielded | 0.7 | |
| ✓ passed | reaxff/in.reaxff.tatb | 1.6 | |
| ✓ passed | reaxff/in.reaxff.tatb-shielded | 1.6 | |
| ✓ passed | reaxff/water/in.water.acks2 | 4.5 | |
| ✓ passed | reaxff/water/in.water.acks2.field | 5.4 | |
| ✓ passed | reaxff/water/in.water.qeq | 2.2 | |
| ✓ passed | reaxff/water/in.water.qeq.field | 2.0 | |
| ✓ passed | reaxff/water/in.water.qeqr | 2.3 | |
| ✓ passed | reaxff/water/in.water.qeqr.field | 2.4 | |
| ✓ passed | reaxff/water/in.water.qtpie | 2.6 | |
| ✓ passed | reaxff/water/in.water.qtpie.field | 2.6 | |
| ✓ passed | replicate/in.replicate.bond.x | 0.9 | |
| ✓ passed | replicate/in.replicate.bond.x.noloop | 0.9 | |
| ✓ passed | replicate/in.replicate.bond.x.y | 1.1 | |
| ✓ passed | replicate/in.replicate.bond.xy | 1.0 | |
| ✓ passed | replicate/in.replicate.cnt | 2.4 | |
| ✗ failed | rheo/balloon/in.rheo.balloon | 146.4 | completed, 0 abs diff and 1 rel diff checks failed differs from step 2400 on (output row 12) the run needs 146 s: a production sized run that should be shortened in the repository (last OK: 2026-07-28T00-52-56Z_73a17bb8cd) |
| ✓ passed | rheo/dam-break/in.rheo.dam.break | 97.6 | the run needs 98 s: a production sized run that should be shortened in the repository |
| ✗ failed | rheo/ice-cubes/in.rheo.ice.cubes | 99.3 | completed, 0 abs diff and 1 rel diff checks failed differs from step 200 on (output row 1) the run needs 99 s: a production sized run that should be shortened in the repository (last OK: 2026-07-28T00-52-56Z_73a17bb8cd) |
| ✗ failed | rheo/oxidation/in.rheo.oxidation | 124.5 | completed, 0 abs diff and 1 rel diff checks failed differs from step 800 on (output row 4) the run needs 125 s: a production sized run that should be shortened in the repository (last OK: 2026-07-28T00-52-56Z_73a17bb8cd) |
| ✗ failed | rheo/poiseuille/in.rheo.poiseuille | 12.2 | completed, 0 abs diff and 1 rel diff checks failed differs from step 200 on (output row 1) (last OK: 2026-07-28T00-52-56Z_73a17bb8cd) |
| ✓ passed | rheo/taylor-green/in.rheo.taylor.green | 27.3 | |
| ✓ passed | rigid/in.rigid | 0.6 | |
| ✓ passed | rigid/in.rigid.atomfile | 0.7 | |
| ✓ passed | rigid/in.rigid.atomvar | 0.7 | |
| ✓ passed | rigid/in.rigid.cubes | 0.8 | |
| ✓ passed | rigid/in.rigid.cubes.gravity | 0.8 | |
| ✓ passed | rigid/in.rigid.cubes.langevin | 0.8 | |
| ◉ runtest | rigid/in.rigid.cubes.multirun | 0.6 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.rigid.cubes.gravity.1, log.rigid.cubes.gravity.4, log.rigid.cubes.langevin.1, ... in this folder match no input script at all: check the names |
| ✓ passed | rigid/in.rigid.cubes.nph | 0.8 | |
| ✓ passed | rigid/in.rigid.cubes.npt | 1.0 | |
| ✓ passed | rigid/in.rigid.cubes.nve | 0.8 | |
| ✓ passed | rigid/in.rigid.cubes.nvt | 0.8 | |
| ✓ passed | rigid/in.rigid.cubes.partial | 0.6 | |
| ✓ passed | rigid/in.rigid.cubes.tri | 0.7 | |
| ✓ passed | rigid/in.rigid.dipoles | 0.6 | |
| ✓ passed | rigid/in.rigid.early | 0.7 | |
| ✓ passed | rigid/in.rigid.ellipsoids | 0.6 | |
| ✓ passed | rigid/in.rigid.gravity | 0.8 | |
| ✓ passed | rigid/in.rigid.infile | 0.7 | |
| ✓ passed | rigid/in.rigid.molecule | 0.7 | |
| ✗ failed | rigid/in.rigid.nve | 0.7 | completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) |
| ✗ failed | rigid/in.rigid.nve.early | 0.7 | completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) |
| ✓ passed | rigid/in.rigid.property | 0.7 | |
| ✓ passed | rigid/in.rigid.small | 0.8 | |
| ✓ passed | rigid/in.rigid.small.infile | 0.8 | |
| ✓ passed | rigid/in.rigid.spheres | 0.6 | |
| ✗ failed | rigid/in.rigid.tnr | 5.7 | completed, 22 abs diff and 27 rel diff checks failed differs from step 4100 on (output row 41) |
| ✓ passed | shear/in.shear | 1.4 | |
| ✓ passed | shear/in.shear.void | 1.3 | |
| ✓ passed | snap/in.C_SNAP | 7.8 | |
| ✓ passed | snap/in.gaussian.grid | 0.5 | |
| ✓ passed | snap/in.snap.InP.JCPA2020 | 3.6 | |
| ✓ passed | snap/in.snap.Mo_Chen | 0.7 | |
| ✓ passed | snap/in.snap.Ta06A | 0.7 | |
| ✓ passed | snap/in.snap.W.2940 | 1.1 | |
| ✓ passed | snap/in.snap.WBe.PRB2019 | 1.1 | |
| ◉ runtest | snap/in.snap.compute | 0.5 | completed, but no Step nor Loop in the output |
| ◉ runtest | snap/in.snap.compute.quadratic | 0.7 | completed, but no Step nor Loop in the output |
| ◉ runtest | snap/in.snap.grid | 0.6 | completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names |
| ◉ runtest | snap/in.snap.grid.triclinic | 0.5 | completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names |
| ✓ passed | snap/in.snap.hybrid.WSNAP.HePair | 1.1 | |
| ◉ runtest | snap/in.snap.scale.Ni_Zuo_JCPA2020 | 1.3 | completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names |
| ✗ failed | srd/in.srd.mixture | 1.0 | completed, 3 abs diff and 3 rel diff checks failed differs from step 700 on (output row 9) |
| ✓ passed | srd/in.srd.pure | 1.5 | |
| ✓ passed | steinhardt/in.bcc | 0.5 | |
| ✓ passed | steinhardt/in.fcc | 0.5 | |
| ✓ passed | steinhardt/in.icos | 1.3 | |
| ✓ passed | streitz/in.ctip | 55.7 | the run needs 56 s: a production sized run that should be shortened in the repository |
| ◉ runtest | streitz/in.gan | 0.9 | completed, numerical checks skipped due to missing the reference log file |
| ✗ failed | streitz/in.streitz.ewald | 16.3 | completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output |
| ✗ failed | streitz/in.streitz.wolf | 20.4 | failed, mismatched columns in the log files |
| ✓ passed | stress_vcm/in.stress_vcm | 5.6 | |
| ○ skipped | tad/in.tad | 0.0 | skipped, needs a multi-partition run ("tad") |
| ✗ failed | template/in.hybrid | 2.8 | completed, 3 abs diff and 3 rel diff checks failed differs from step 800 on (output row 8) |
| ✗ failed | template/in.mol-data-mix | 5.2 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✓ passed | template/in.mol-restart-mix | 11.5 | |
| ✗ failed | template/in.molecular-mix | 7.0 | completed, 4 abs diff and 3 rel diff checks failed differs from step 204 on (output row 3) |
| ✗ failed | template/in.template-mix | 6.7 | completed, 4 abs diff and 3 rel diff checks failed differs from step 204 on (output row 3) |
| ✗ failed | template/in.tmpl-data-mix | 4.9 | completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) |
| ✓ passed | template/in.tmpl-restart-mix | 11.6 | |
| ✓ passed | tersoff/in.hBN_shift | 0.7 | |
| ✓ passed | tersoff/in.tersoff | 0.7 | |
| ✓ passed | threebody/in.mos2-bulk | 0.6 | |
| ✓ passed | threebody/in.mos2.rebomos | 4.5 | |
| ✓ passed | threebody/in.mos2.sw.mod | 1.0 | |
| ✓ passed | threebody/in.threebody | 1.0 | |
| ✓ passed | triclinic/in.bcc.orthog | 0.5 | |
| ✓ passed | triclinic/in.bcc.primitive | 0.5 | |
| ✓ passed | triclinic/in.data.general | 0.5 | |
| ✓ passed | triclinic/in.fcc.orthog | 0.6 | |
| ✓ passed | triclinic/in.fcc.primitive | 0.5 | |
| ✓ passed | triclinic/in.hex.orthog | 0.5 | |
| ✓ passed | triclinic/in.hex.primitive | 0.5 | |
| ✓ passed | triclinic/in.sq2.orthog | 0.5 | |
| ✓ passed | triclinic/in.sq2.primitive | 0.5 | |
| ✓ passed | ttm/in.ttm | 4.9 | |
| ✓ passed | ttm/in.ttm.cascade | 6.3 | |
| ✓ passed | ttm/in.ttm.grid | 5.1 | |
| ✓ passed | ttm/in.ttm.mod | 2.1 | |
| ✓ passed | ttm/in.ttm.thermal | 4.9 | |
| ✓ passed | vashishta/in.vashishta.inp | 0.5 | |
| ✓ passed | vashishta/in.vashishta.sio2 | 0.6 | |
| ✓ passed | vashishta/in.vashishta.table.inp | 0.6 | |
| ✓ passed | vashishta/in.vashishta.table.sio2 | 0.6 | |
| ◉ runtest | voronoi/in.voronoi | 2.9 | completed, but no Step nor Loop in the output |
| ◉ runtest | voronoi/in.voronoi.2d | 0.5 | completed, but no Step nor Loop in the output |
| ◉ runtest | voronoi/in.voronoi.data | 0.5 | completed, but no Step nor Loop in the output |
| ✓ passed | wall/in.wall.block | 1.4 | |
| ✓ passed | wall/in.wall.ccl | 0.7 | |
| ✓ passed | wall/in.wall.diffusive | 0.7 | |
| ✓ passed | wall/in.wall.flow | 1.6 | |
| ✓ passed | wall/in.wall.harmonic.2d | 1.1 | |
| ✓ passed | wall/in.wall.harmonic.outside.2d | 1.2 | |
| ✓ passed | wall/in.wall.lepton | 0.5 | |
| ✓ passed | wall/in.wall.maxwell | 0.7 | |
| ✓ passed | wall/in.wall.specular | 0.7 | |
| ✓ passed | wall/in.wall.sphere | 1.1 | |
| ✓ passed | wall/in.wall.table | 0.5 | |
| ◉ runtest | yaml/in.yaml | 1.3 | completed, error parsing log.yaml.4 into YAML |