Hi Abdelatif,
I had the same issue but with a different Amber version.
Please check if the $LD_LIBRARY_PATH consists of CUDA directory. In
terminal you can check that by
echo $LD_LIBRARY_PATH
If not, you can export it with CUDA directory and see if that helps.
So, assuming that your CUDA directory is located at /usr/local/cuda, do
export LD_LIBRARY_PATH=/usr/local/cuda/lib64/:$LD_LIBRARY_PATH
Good luck!
Karolina
pt., 24 lut 2023 o 23:50 ABDELATIF MESSAOUDI via AMBER <amber.ambermd.org>
napisał(a):
> Dear AMBER users,
>
> 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*
>
>
>
> *Best regards *
>
>
> *Abdelatif Messaoudi*
>
> *LCMVAR, University of Batna 1, Algeria*
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>
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Received on Sat Feb 25 2023 - 00:00:03 PST
