Configuration comparison
The same input decks, run in different configurations at commit 2b85e289b1. 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
307
Comparable
106
Disagreeing
| Configuration | Runs on | Tests | Needs a fix | Timeouts | Run |
|---|---|---|---|---|---|
| serial | 1 process | 696 | 100 | 1 | 2026-10-15T05-36-53Z_2b85e289b1 |
| parallel | 4 MPI tasks | 696 | 18 | 4 | 2026-10-15T05-42-08Z_2b85e289b1 |
| openmp | 2 MPI tasks with 2 OpenMP threads via the OPENMP package | 696 | 85 | 5 | 2026-10-15T05-48-11Z_2b85e289b1 |
| kokkos | 2 MPI tasks with 2 OpenMP threads via the KOKKOS package | 394 | 56 | 0 | 2026-10-15T05-49-58Z_2b85e289b1 |
How the configurations differ pairwise
| 23 | serial vs parallel |
| 74 | serial vs openmp |
| 102 | serial vs kokkos |
| 53 | parallel vs openmp |
| 81 | parallel vs kokkos |
| 37 | openmp vs kokkos |
Tests that do not agree (106)
| Test | serial | parallel | openmp | kokkos |
|---|---|---|---|---|
ASPHERE/flat_membrane/in.flat_membrane | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
ASPHERE/superellipsoid_gran/in.bowling | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
ASPHERE/superellipsoid_gran/in.drop_test | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
ASPHERE/superellipsoid_gran/in.ellipsoid_gran | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
ASPHERE/superellipsoid_gran/in.super_table | ◉ runtest | ◉ runtest | ◉ runtest | ⚠ error |
ASPHERE/vesicle/in.vesicle | ✓ 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/cauchy/in.cauchystat | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/class2xe/in.NVT_class2xe.script | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/dielectric/in.confined.dof | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/dielectric/in.confined.gmres | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/dielectric/in.confined.icc | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/dielectric/in.nopbc.dof | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/dielectric/in.nopbc.gmres | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/dielectric/in.nopbc.icc | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/dpd-react/dpd-shardlow/in.dpd-shardlow | ◉ runtest | ◉ runtest | ◉ runtest | ⚠ error |
PACKAGES/dpd-react/dpdp-shardlow/in.dpdp-shardlow | ◉ runtest | ◉ runtest | ◉ runtest | ⚠ error |
PACKAGES/dpd-react/dpdrx-shardlow/in.dpdrx-shardlow | ✓ passed | ○ skipped | ○ skipped | ○ skipped |
PACKAGES/edip/in.edip-Si | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/edip/in.edip-Si-multi | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/gjf/in.gjf.vfull | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/gjf/in.gjf.vhalf | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/ilves/in.cg-polymers | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/ilves/in.polymelt | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/interlayer/drip/in.C_drip | ✓ passed | ✓ passed | ✗ failed | ✓ passed |
PACKAGES/manybody_table/in.spce_sw | ✗ failed | ✓ passed | ✗ 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/mesomem/in.selfassembly | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/mofff/in.hkust1 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/mofff/in.hkust1_long | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/pafi/in.pafi | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
PACKAGES/pod/Ta/in.pod | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
PACKAGES/pod/Ta/in.pod.compute | ✓ passed | ○ skipped | ○ skipped | ○ skipped |
PACKAGES/rhok/in.crystal | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/rhok/in.pinning | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
PACKAGES/rhok/in.setup | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
SPIN/read_restart/in.spin.write_restart | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
SPIN/test_problems/validation_nve/in.spin.iron-nve | ✗ failed | ○ skipped | ○ skipped | ○ skipped |
SPIN/test_problems/validation_nvt/in.spin.nvt_lattice | ✗ failed | ○ skipped | ○ skipped | ○ skipped |
SPIN/test_problems/validation_nvt/in.spin.nvt_spin | ✓ passed | ○ skipped | ○ skipped | ○ skipped |
comb/in.comb3 | ✓ passed | ✓ passed | ○ skipped | ✓ 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.atom | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
deposit/in.deposit.molecule | ✓ 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 |
deposit/in.deposit.molecule.shake | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
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 |
granregion/in.granregion.box | ✗ failed | ✗ failed | ✗ failed | ⚠ error |
granular/in.chute | ✓ 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 |
indent/in.indent.min | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
micelle/in.micelle-rigid | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
min/in.min | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
mliap/in.mliap.nn.Ta06A | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
mliap/in.mliap.snap.Ta06A | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
mliap/in.mliap.snap.WBe.PRB2019 | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
mliap/in.mliap.snap.chem | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
mliap/in.mliap.snap.quadratic | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
nb3b/in.nb3b.screened | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
pour/in.pour | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
pour/in.pour.2d | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
pour/in.pour.2d.molecule | ✓ passed | ✓ passed | ✓ passed | ⚠ error |
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.tatb | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
reaxff/water/in.water.acks2 | ✓ passed | ✓ passed | ○ skipped | ✗ failed |
reaxff/water/in.water.acks2.field | ✓ passed | ✓ passed | ○ skipped | ✗ failed |
rigid/in.rigid.cubes.gravity | ✓ passed | ✗ failed | ✗ failed | ✗ failed |
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 |
template/in.mol-restart-mix | ✓ passed | ✓ passed | ✗ failed | ✗ failed |
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 |