Dear David
Thanks a lot ! It worked very well.
Best wishes
Abdelatif
Le mar. 28 févr. 2023 à 14:50, David A Case <david.case.rutgers.edu> a
écrit :
> On Fri, Feb 24, 2023, ABDELATIF MESSAOUDI via AMBER wrote:
> >
> >I have compiled Amber22 with CUDA support in our Ubuntu 22,10, but when
> >
> >*to run simulation, pmemd runs fine but I get the following error in
> >pmemd.cuda *
> >*pmemd.cuda: error while loading shared libraries: libcufft.so.10: cannot
> >open shared object file: No such file or directory*
>
> Go to your amber22/bin folder, and type the following:
>
> ldd pmemd.cuda_SPFP
>
> What does it say about libcufft.so.10? It should be pointing to your
> $CUDA_HOME folder (something like /usr/local/cuda/lib64). You may need to
> add that path to your LD_LIBRARY_PATH environment variable; run ldd again
> to see if that helps.
>
> ....dac
>
>
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Received on Tue Feb 28 2023 - 14:00:02 PST
