10 Tests Failed

GROMACS version: 2023.2
GROMACS modification: No

Hi! I’m trying to install GROMACS with CUDA support for the first time, and I’m running into some test failures in the last step.


sudo make check

I get

10 tests failed
The following tests FAILED:
27 - FFTUnitTests (Failed)
63 - MdrunTestsOneRank (Failed)
65 - MdrunSingleRankAlgorithmsTests (Failed)
68 - MdrunMpiTests (Failed)
72 - MdrunMpi1RankPmeTests (Failed)
73 - MdrunMpi2RankPmeTests (Failed)
80 - MdrunFEPTests (Failed)
84 - regressiontests/complex (Failed)
85 - regressiontests/freeenergy (Failed)
87 - regressiontests/essentialdynamics (Failed)

I searched some previous topics, but none of them seem to give a definitive solution…

I have just checked and it works without GPU support. I really need GPU support, though… Any ideas on how to make it work on GPU?