Matt Schramm commented on issue #5542 at GROMACS / GROMACS

Matt Schramm
2026-01-28T18:14:49Z

Failed on 17 tests.

The following tests FAILED:
1 - GmxapiExternalInterfaceTests (Failed) GTest IntegrationTest QuickGpuTest
2 - GmxapiMpiTests (Failed) GTest IntegrationTest MpiTest
74 - MdrunOutputTests (Failed) GTest IntegrationTest QuickGpuTest
75 - MdrunModulesTests (Failed) GTest IntegrationTest QuickGpuTest
76 - MdrunIOTests (Failed) GTest IntegrationTest SlowGpuTest
77 - MdrunTestsOneRank (Failed) GTest IntegrationTest MpiTest SlowGpuTest
78 - MdrunTestsTwoRanks (Failed) GTest IntegrationTest MpiTest SlowGpuTest
79 - MdrunSingleRankAlgorithmsTests (Failed) GTest IntegrationTest SlowGpuTest
80 - Minimize1RankTests (Failed) GTest IntegrationTest MpiTest QuickGpuTest
81 - Minimize2RankTests (Failed) GTest IntegrationTest MpiTest QuickGpuTest
82 - MdrunNonIntegratorTests (Failed) GTest IntegrationTest SlowGpuTest
84 - MdrunMpiTests (Failed) GTest IntegrationTest MpiTest QuickGpuTest
88 - MdrunMpi1RankPmeTests (Failed) GTest IntegrationTest MpiTest SlowGpuTest
89 - MdrunMpi2RankPmeTests (Failed) GTest IntegrationTest MpiTest SlowGpuTest
97 - MdrunFEPTests (Failed) GTest IntegrationTest SlowGpuTest
98 - MdrunPullTests (Failed) GTest IntegrationTest QuickGpuTest
99 - MdrunRotationTests (Failed) GTest IntegrationTest QuickGpuTest

Attached are the compressed logs. For your mpi, are you using UCC? I didn't see it listed in the link you provided.

I will also test by recompiling the OpenMPI rpm and enable the CUDA-Aware setting to see if that changes anything.

LastTest.log.gz