Configuration comparison
The same input decks, run in different configurations at commit 11fc96ddec. A test counts here only where every configuration reaches a verdict on it: an input that needs a fix in the examples tree cannot match its reference log file for a reason of its own - most of them because that log was written with a different number of MPI processes - and an input that ran out of time has no verdict at all. Both are left out, or they bury everything else.
4
Configurations
635
Comparable
254
Disagreeing
| Configuration | Runs on | Tests | Needs a fix | Timeouts | Run |
|---|---|---|---|---|---|
| serial | 1 process | 869 | 135 | 5 | 2026-08-15T00-14-10Z_11fc96ddec |
| parallel | 4 MPI tasks | 869 | 109 | 17 | 2026-08-15T00-20-57Z_11fc96ddec |
| openmp | 2 MPI tasks with 2 OpenMP threads via the OPENMP package | 869 | 194 | 18 | 2026-08-15T00-29-59Z_11fc96ddec |
| kokkos | 2 MPI tasks with 2 OpenMP threads via the KOKKOS package | 869 | 174 | 14 | 2026-08-15T00-38-22Z_11fc96ddec |
How the configurations differ pairwise
| 45 | serial vs parallel |
| 130 | serial vs openmp |
| 246 | serial vs kokkos |
| 102 | parallel vs openmp |
| 221 | parallel vs kokkos |
| 168 | openmp vs kokkos |
Tests that do not agree (254)
| Test | serial | parallel | openmp | kokkos |
|---|---|---|---|---|
ASPHERE/box/in.box | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
ASPHERE/box/in.box.mp | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
ASPHERE/dimer/in.dimer | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
ASPHERE/dimer/in.dimer.mp | ✗ failed | ⚠ error | ✗ failed | ⚠ error |
ASPHERE/ellipsoid/in.ellipsoid | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
ASPHERE/ellipsoid/in.ellipsoid.mp | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
ASPHERE/line/in.line | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
ASPHERE/line/in.line.srd | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
ASPHERE/poly/in.poly | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
ASPHERE/poly/in.poly.mp | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
ASPHERE/star/in.star | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
ASPHERE/star/in.star.mp | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
ASPHERE/superellipsoid_gran/in.bowling | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
ASPHERE/superellipsoid_gran/in.drop_test | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
ASPHERE/superellipsoid_gran/in.ellipsoid_gran | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
ASPHERE/superellipsoid_gran/in.super_table | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
ASPHERE/vesicle/in.vesicle | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
ELASTIC/in.elastic | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
ELASTIC_T/BORN_MATRIX/Silicon/in.elastic | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
ELASTIC_T/DEFORMATION/Silicon/in.elastic | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
GRAPHICS/in.bpm-fracture | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
GRAPHICS/in.cubes-and-pyramids | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
GRAPHICS/in.mixer-drum | ⚠ error | ○ skipped | ○ skipped | ⚠ error |
MC-LOOP/in.mc | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
PACKAGES/apip/in.surface.la.nocons | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/apip/in.vacancy.const.lambda | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/apip/in.validate | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
PACKAGES/bocs/4_sites_LD_SG/in.ldd_create_data | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/brownian/2d_velocity/in.2d.velocity | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/brownian/spherical_ABP/in.2d.abp | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/cgdna/examples/lj_units/oxDNA/duplex1/in.duplex1 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/lj_units/oxDNA/duplex2/in.duplex2 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/lj_units/oxDNA/potential_file/in.duplex1 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/lj_units/oxDNA2/dsring/in.dsring | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex1/in.duplex1 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex2/in.duplex2 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex3/in.duplex3 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/lj_units/oxDNA2/potential_file/in.duplex1 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/lj_units/oxDNA3/duplex2/in.duplex2 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/lj_units/oxRNA2/duplex2/in.duplex2 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/lj_units/oxRNA2/potential_file/in.duplex2 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/real_units/oxDNA/duplex1/in.duplex1 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/real_units/oxDNA/duplex2/in.duplex2 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/real_units/oxDNA/potential_file/in.duplex1 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/real_units/oxDNA2/dsring/in.dsring | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/real_units/oxDNA2/duplex1/in.duplex1 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/real_units/oxDNA2/duplex2/in.duplex2 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/real_units/oxDNA2/duplex3/in.duplex3 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/real_units/oxDNA2/potential_file/in.duplex1 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/real_units/oxDNA3/duplex2/in.duplex2 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/real_units/oxRNA2/duplex2/in.duplex2 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgdna/examples/real_units/oxRNA2/potential_file/in.duplex2 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cgspica/sds-monolayer/in.sds-hybrid | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/class2xe/in.NVT_class2xe.script | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/cnp/in.cnp | ○ skipped | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/colvars/in.peptide-spring | ✓ passed | ✗ failed | ✓ passed | ✗ failed |
PACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
PACKAGES/dpd-react/dpd-shardlow/in.dpd-shardlow | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
PACKAGES/dpd-react/dpdp-shardlow/in.dpdp-shardlow | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
PACKAGES/dpd-react/dpdrx-shardlow/in.dpdrx-shardlow | ○ skipped | ⚠ error | ⚠ error | ⚠ error |
PACKAGES/eff/Be-solid/in.Be-solid.spe | ○ skipped | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/eff/CH4/in.ch4.dynamics | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
PACKAGES/eff/CH4/in.ch4.min | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/eff/CH4/in.ch4_ionized.dynamics | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
PACKAGES/eff/ECP/Si2H6/in.Si2H6 | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
PACKAGES/eff/ECP/Si2H6/in.Si2H6.ang | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
PACKAGES/eff/ECP/SiC/bulk/in.SiC | ○ skipped | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/eff/ECP/SiH4/in.SiH4 | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
PACKAGES/eff/ECP/SiH4/in.SiH4.ang | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
PACKAGES/eff/H2/in.h2 | ○ skipped | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/eff/Li-dendritic/in.Li-dendritic.min | ○ skipped | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/eff/Li-dendritic/in.Li-dendritic.nvt | ○ skipped | ✓ passed | ✗ failed | ⚠ error |
PACKAGES/electrode/madelung/in.ewald-ew2d | ✗ failed | ✗ failed | ✓ passed | ✓ passed |
PACKAGES/filter_corotate/in.bpti | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
PACKAGES/flow_gauss/in.GD | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/gauss_diel/in.gauss-diel | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
PACKAGES/gauss_diel/in.gauss-diel-cg | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
PACKAGES/gauss_diel/in.gauss-diel-split | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
PACKAGES/ilves/in.cg-polymers | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/ilves/in.peptide-allbonds | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
PACKAGES/ilves/in.peptide-fixed | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
PACKAGES/ilves/in.polymelt | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/ilves/in.rhodo-allbonds | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
PACKAGES/interlayer/drip/in.C_drip | ✓ passed | ✓ passed | ✗ failed | ✓ passed |
PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene | ✓ passed | ✓ passed | ✗ failed | ✓ passed |
PACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphene | ✗ failed | ✓ passed | ✗ failed | ✓ passed |
PACKAGES/machdyn/aluminum_strip_pull/in.aluminum_strip_pull | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/machdyn/fluid_structure_interaction/in.fluid_structure_interaction | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
PACKAGES/machdyn/funnel_flow/in.funnel_flow | ✓ passed | ✗ failed | ✗ failed | ⚠ error |
PACKAGES/machdyn/rubber_rings_3d/in.rubber_rings_3d | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
PACKAGES/machdyn/rubber_strip_pull/in.rubber_strip_pull | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/manybody_table/in.spce_sw | ✗ failed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/mbx/256h2o/in.256h2o | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
PACKAGES/mbx/256h2o_dipole/in.256h2o_dipole | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
PACKAGES/mbx/mof_ff_lammps+1_h2o_mbx/in.mof_1h2o | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
PACKAGES/meam_sw_spline/Si/in.bcc_relax | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/meam_sw_spline/Si/in.dc_relax | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
PACKAGES/meam_sw_spline/Si/in.fcc_relax | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/meam_sw_spline/Si/in.hcp_relax | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
PACKAGES/meam_sw_spline/Ti/in.alpha_relaxation | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
PACKAGES/mesont/in.film_mesocnt | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/neighbor-swap/in.KMC_pulse_center | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
PACKAGES/neighbor-swap/in.KMC_pulse_edge | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
PACKAGES/pace/in.pace.product | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/pace/in.pace.recursive | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/pafi/in.pafi | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
PACKAGES/phonon/4-Graphene/in.graphene | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
PACKAGES/pod/InP/in.pod.InP | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/pod/Ta/in.pod | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/pod/Ta/in.pod.compute | ✓ passed | ⚠ error | ⚠ error | ⚠ error |
PACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
PACKAGES/reaction/nylon,6-6_melt/in.large_nylon_melt | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
PACKAGES/reaction/tiny_epoxy/in.tiny_epoxy.stabilized | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized_variable_probability | ✓ passed | ✗ failed | ✗ failed | ⚠ error |
PACKAGES/reaction/tiny_nylon/in.tiny_nylon.unstabilized | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/reaction/tiny_nylon_json/in.tiny_nylon.stabilized | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
PACKAGES/srp/in.srp | ✓ passed | ✓ passed | ⚠ error | ⚠ error |
PACKAGES/srp_react/in.srp_react | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
PACKAGES/tally/in.force | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/tally/in.pe | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/tally/in.stress | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
SPIN/read_restart/in.spin.write_restart | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
SPIN/spinmin/in.spin.bfo_min | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
SPIN/spinmin/in.spin.bfo_min_cg | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
SPIN/spinmin/in.spin.bfo_min_lbfgs | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
SPIN/spinmin/in.spin.iron_min | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
VISCOSITY/in.cos.1000SPCE | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
amoeba/in.ubiquitin | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
amoeba/in.water_box.amoeba | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
amoeba/in.water_box.hippo | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
amoeba/in.water_dimer.amoeba | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
amoeba/in.water_dimer.hippo | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
amoeba/in.water_hexamer.amoeba | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
amoeba/in.water_hexamer.hippo | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
body/in.body | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
body/in.cubes | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
body/in.pour3d | ✓ passed | ✓ passed | ⚠ error | ⚠ error |
body/in.squares | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
body/in.wall2d | ✗ failed | ✗ failed | ⚠ error | ⚠ error |
colloid/in.colloid | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
comb/in.comb3 | ✓ passed | ✓ passed | ⚠ error | ✓ passed |
controller/in.controller.temp | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
controller/in.controller.wall | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
coreshell/in.coreshell.dsf | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
deposit/in.deposit.molecule.rigid-nve-small | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
deposit/in.deposit.molecule.rigid-nvt-small | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
deposit/in.deposit.molecule.rigid-small | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
dreiding/in.dreiding | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
ellipse/in.ellipse.resquared | ✗ failed | ✗ failed | ✓ passed | ✗ failed |
fire/in.abcfire | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
fire/in.abcfire_mod | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
fire/in.cg | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
fire/in.fire | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
fire/in.fire_mod | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
gjf/in.gjf.vfull | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
gjf/in.gjf.vhalf | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
granregion/in.granregion.box | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
granregion/in.granregion.mixer | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
gransurf/in.line.gran.data | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
gransurf/in.line.gran.global | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
gransurf/in.line.gran.surf | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
gransurf/in.tri.gran.data | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
gransurf/in.tri.gran.global | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
gransurf/in.tri.gran.global.stl | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
gransurf/in.tri.gran.surf | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
gransurf/in.tri.gran.surf.stl | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
gransurf/in.tribox.gran.data | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
gransurf/in.tribox.gran.global | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
gransurf/in.tribox.gran.global.stl | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
gransurf/in.tribox.gran.surf | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
gransurf/in.tribox.gran.surf.stl | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
granular/in.pour.drum | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
granular/in.pour.flatwall | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
granular/in.sync_verlet | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
grid/in.sph | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
indent/in.indent.min | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
mc/in.gcmc.lj | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
mc/in.gcmc.region | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
mc/in.hmc.flexible.melt | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
mc/in.hmc.rigid | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
mc/in.widom.lj | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
mc/in.widom.spce | ✗ failed | ⚠ error | ⚠ error | ⚠ error |
micelle/in.micelle-rigid | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
min/in.min | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
mliap/in.mliap.ace.compute | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
mliap/in.mliap.quadratic.compute | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
mliap/in.mliap.snap.compute | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
multi/in.colloid | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
nb3b/in.nb3b | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
nb3b/in.nb3b.screened | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
peri/in.peri-pmb | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
peri/in.peri.eps | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
peri/in.peri.lps | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
peri/in.peri.pmb | ✓ passed | ✓ passed | ✗ failed | ⚠ error |
peri/in.peri.ves | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
pour/in.pour | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
pour/in.pour.2d | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
pour/in.pour.2d.molecule | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
qeq/in.qeq.buck | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
reaxff/AB/in.AB | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
reaxff/AuO/in.AuO | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
reaxff/CHO/in.CHO | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
reaxff/FC/in.FC | ✓ passed | ✓ passed | ✓ passed | ✗ failed |
reaxff/FeOH3/in.FeOH3 | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
reaxff/HNS/in.reaxff.hns | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
reaxff/RDX/in.RDX | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
reaxff/VOH/in.VOH | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
reaxff/ZnOH2/in.ZnOH2 | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
reaxff/in.reaxff.rdx | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
reaxff/in.reaxff.rdx-shielded | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
reaxff/in.reaxff.tatb | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
reaxff/in.reaxff.tatb-shielded | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
reaxff/water/in.water.acks2 | ✓ passed | ✓ passed | ⚠ error | ✗ failed |
reaxff/water/in.water.acks2.field | ✓ passed | ✓ passed | ⚠ error | ✗ failed |
reaxff/water/in.water.qeqr | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
reaxff/water/in.water.qeqr.field | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
reaxff/water/in.water.qtpie | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
reaxff/water/in.water.qtpie.field | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
replicate/in.replicate.bond.x | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
replicate/in.replicate.bond.x.noloop | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
rerun/in.first | ✗ failed | ✓ passed | ✗ failed | ✗ failed |
rerun/in.rdf.first | ○ skipped | ✓ passed | ✗ failed | ✗ failed |
rerun/in.rdf.rerun | ○ skipped | ✓ passed | ⚠ error | ⚠ error |
rerun/in.read_dump | ○ skipped | ✗ failed | ✓ passed | ⚠ error |
rerun/in.rerun | ○ skipped | ✓ passed | ✓ passed | ⚠ error |
rigid/in.rigid.cubes.langevin | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
rigid/in.rigid.cubes.nph | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
rigid/in.rigid.cubes.npt | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
rigid/in.rigid.dipoles | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
rigid/in.rigid.gravity | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
rigid/in.rigid.spheres | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
snap/in.C_SNAP | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
srd/in.srd.mixture | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
srd/in.srd.pure | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
template/in.hybrid | ✗ failed | ✗ failed | ⚠ error | ⚠ error |
template/in.mol-restart-mix | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
template/in.tmpl-data-mix | ✗ failed | ✗ failed | ⚠ error | ⚠ error |
template/in.tmpl-restart-mix | ✓ passed | ✓ passed | ⚠ error | ⚠ error |
tersoff/in.hBN_shift | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
tersoff/in.tersoff | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
tracker/in.track | ✓ passed | ✗ failed | ✓ passed | ✓ passed |
ttm/in.ttm | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
ttm/in.ttm.cascade | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
ttm/in.ttm.grid | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
ttm/in.ttm.mod | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
ttm/in.ttm.thermal | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
vashishta/in.vashishta.inp | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
voronoi/in.voronoi.2d | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
voronoi/in.voronoi.data | ○ skipped | ○ skipped | ○ skipped | ⚠ error |
wall/in.wall.lepton | ✓ passed | ✓ passed | ✓ passed | ✗ failed |
wall/in.wall.table | ✓ passed | ✓ passed | ✓ passed | ✗ failed |