Configuration comparison

The same input decks, run in different configurations at commit d71abe6102. 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.

Configurations

415

Comparable

150

Disagreeing

Configuration	Runs on	Tests	Needs a fix	Timeouts	Run
serial	1 process	721	109	0	2026-09-03T04-51-23Z_d71abe6102
parallel	4 MPI tasks	721	30	4	2026-09-03T04-56-39Z_d71abe6102
openmp	2 MPI tasks with 2 OpenMP threads via the OPENMP package	721	119	5	2026-09-03T05-03-17Z_d71abe6102
kokkos	2 MPI tasks with 2 OpenMP threads via the KOKKOS package	573	104	4	2026-09-03T05-08-49Z_d71abe6102

How the configurations differ pairwise

28	serial vs parallel
96	serial vs openmp
144	serial vs kokkos
73	parallel vs openmp
122	parallel vs kokkos
68	openmp vs kokkos

Tests that do not agree (150)

Test	serial	parallel	openmp	kokkos
`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/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/charge_regulation/in.chreg-acid`	✓ passed	✓ passed	✗ failed	✗ failed
`PACKAGES/charge_regulation/in.chreg-acid-real`	✓ passed	✓ passed	✗ failed	✗ failed
`PACKAGES/charge_regulation/in.chreg-polymer`	✓ passed	✓ passed	✗ failed	✗ failed
`PACKAGES/class2xe/in.NVT_class2xe.script`	✓ passed	✓ passed	✓ passed	⚠ error
`PACKAGES/cnp/in.cnp`	◉ runtest	✓ passed	✗ failed	✗ failed
`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	⚠ error
`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/gjf/in.gjf.vfull`	✓ passed	✓ passed	✗ failed	✗ failed
`PACKAGES/gjf/in.gjf.vhalf`	✓ passed	✓ passed	✗ failed	✗ failed
`PACKAGES/grem/lj-single/in.gREM-npt`	✗ failed	✗ failed	✗ failed	⚠ error
`PACKAGES/grem/lj-single/in.gREM-nvt`	✓ passed	✓ passed	✓ passed	⚠ error
`PACKAGES/ilves/in.cg-polymers`	✓ passed	✓ passed	✗ failed	✗ failed
`PACKAGES/ilves/in.polymelt`	✓ passed	✓ passed	✗ failed	✗ failed
`PACKAGES/interlayer/aip_water_2dm/in.gr_water.opt`	✗ failed	✓ passed	✓ passed	✓ passed
`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/mesont/in.film_mesocnt`	✓ passed	✓ passed	✓ passed	⚠ error
`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/reaction/create_atoms_polystyrene/in.grow_styrene`	✗ failed	✗ failed	✗ 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_nylon_wildcards/in.tiny_nylon.stabilized`	✗ failed	✗ failed	✗ failed	⚠ error
`PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized`	✗ failed	✗ failed	✗ failed	⚠ error
`PACKAGES/relres/in.22DMH.relres`	✓ passed	✓ passed	✓ passed	⚠ error
`PACKAGES/rhok/in.crystal`	✓ passed	✓ passed	✗ failed	✗ failed
`PACKAGES/rhok/in.pinning`	✓ passed	✓ passed	✗ failed	✗ failed
`PACKAGES/rhok/in.setup`	✓ passed	✓ passed	✗ failed	✗ failed
`PACKAGES/srp/in.srp`	✓ passed	✓ passed	⚠ error	⚠ 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
`PACKAGES/tracker/in.track`	✓ passed	✗ failed	✓ passed	✓ passed
`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
`bpm/impact/in.bpm.impact.spring`	✓ passed	✓ passed	✗ failed	⚠ error
`bpm/peri/benchmark/in.bench.bpm.pmb`	✓ passed	✓ passed	✓ passed	⚠ error
`bpm/peri/in.bpm.peri.eps`	✓ passed	✓ passed	✓ passed	⚠ error
`bpm/peri/in.bpm.peri.lps`	✓ passed	✓ passed	✓ passed	⚠ error
`bpm/peri/in.bpm.peri.pmb`	✓ passed	✓ passed	✓ passed	⚠ error
`bpm/peri/in.bpm.peri.ves`	✓ passed	✓ passed	✓ passed	⚠ error
`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
`gransurf/in.line.gran.global`	✓ 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.tribox.gran.global`	✓ passed	✓ passed	✗ failed	⚠ error
`gransurf/in.tribox.gran.global.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
`indent/in.indent.min`	✓ passed	✗ failed	✗ failed	✗ failed
`mc/in.gcmc.lj`	✓ 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
`micelle/in.micelle-rigid`	✗ failed	✗ failed	✗ failed	⚠ error
`min/in.min`	✓ passed	✓ passed	✗ failed	✗ failed
`mliap/in.mliap.ace.compute`	◉ runtest	◉ runtest	◉ runtest	⚠ error
`mliap/in.mliap.quadratic.compute`	◉ runtest	◉ runtest	◉ runtest	⚠ error
`mliap/in.mliap.snap.compute`	◉ runtest	◉ runtest	◉ runtest	⚠ 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
`python/in.fix_python_invoke_neighlist`	◉ runtest	◉ runtest	⚠ error	⚠ error
`python/in.pair_python_coulomb`	✗ failed	✓ passed	✓ passed	✓ passed
`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	○ skipped	✗ failed
`reaxff/water/in.water.acks2.field`	✓ passed	✓ passed	○ skipped	✗ failed
`reaxff/water/in.water.qeqr`	✓ passed	✓ passed	✗ failed	✓ passed
`replicate/in.replicate.bond.x`	✓ passed	✓ passed	✗ failed	✗ failed
`replicate/in.replicate.bond.x.noloop`	✓ passed	✓ passed	✗ 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
`snap/in.C_SNAP`	✓ passed	✓ passed	✗ failed	✗ failed
`srd/in.srd.pure`	✓ passed	✓ passed	✗ failed	✗ failed
`template/in.mol-restart-mix`	✓ passed	✓ passed	✗ failed	✗ failed
`template/in.tmpl-restart-mix`	✓ passed	✓ passed	○ skipped	⚠ error
`tersoff/in.hBN_shift`	✓ passed	✓ passed	✓ passed	⚠ error
`tersoff/in.tersoff`	✓ passed	✓ passed	✓ passed	⚠ error
`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
`wall/in.wall.lepton`	✓ passed	✓ passed	✓ passed	✗ failed
`wall/in.wall.table`	✓ passed	✓ passed	✓ passed	✗ failed