On Mon, Dec 17, 2018, Asma Abro wrote:
>
>PMEMD.CUDA installation is complete on the system but when I run the tests
>by "make test", none of the tests is passed. Can anyone suggest what
>possibly is wrong?
Check your LD_LIBRARY_PATH environment variable: this should include
$CUDA_HOME/lib (usually something like /usr/local/cuda/lib). If that
folder is not present, please add it.
There are instructions about this when you configure with -cuda, but
they are easy to miss. I think we should modify the standard amber.sh
initialization file to add this folder if it exists, rather than relying
on users to remember to do this....
Of course, your particular problem might be something else, but above is
the first thing to check.
...dac
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Received on Mon Dec 17 2018 - 05:30:06 PST
