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 - 06:00:04 PST
