Le 16/10/2024 à 19:45, Martin Cuma via AMBER a écrit :
> AMBER does build with CUDA 11.8, so, I can stick with that but it'd be
> nice to have it working with the newer GPUs. These are the modules I
> have loaded:
> 1) chpc/1.0 (S) 3) openmpi/5.0.3 5) intel-oneapi-mkl/2024.0.0
> 2) gcc/11.2.0 4) cmake/3.26.0 6) cuda/12.4.0
Dear Martin,
I had trouble in the past with modules since sometimes it fails to pick
the good compiler ...
Double check PATH, LD_LIBRARY_PATH, PYTHONPATH and other environmental
variables before and AFTER module loading.
In my case, it was picking the system compiler (and old GCC) even if gcc
was loaded as a module.
I had a lot of errors (strange ones) because of this.
You can easily do it using the command "env", pipe it to a file, and
redo the commande after module, this is how I discovered the problem...
HTH,
Stéphane
--
Maître de conférences Hors Classe, PEDR, HDR
US2B, Nantes Université, CNRS, UMR 6286, Team Structural Bioinformatics, F-44000 Nantes
http://www.us2b.univ-nantes.fr/ -http://www.steletch.org
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Received on Mon Oct 21 2024 - 10:00:04 PDT
