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?

Sorry about the late reply. It’s difficult to say what going wrong without more information. What kind of GPU do you use?

Do you get any more output regarding the failed tests? They test binaries are located in the bin/ directory, so you can run them separately. That might make it easier to see the output.