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.
After
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…
Thanks!