Check the permissions on /dev/nvidia*
I had OpenMM, CUDA driver and gromacs installed, but I was unable to
run simulations on GPU until I've set permissions to 666
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Andrey Gontchar
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Please se
Hi,
There are two things you should test:
a) Does your NVIDIA driver + CUDA setup work? Try to run a different
CUDA-based program, e.g. you can get the CUDA SDK and compile one of
the simple programs like deviceQuery or bandwidthTest.
b) If the above works, try to compile OpenMM from source with
Hello friends,
I have installed mdrun-gpu v. 4.5.3 without incident on my group's computer
with a suitable GPU. The computer uses a Linux OS. CUDA and OpenMM are
installed in the usual places. I created the topol.tpr file with grompp v.
4.5.3, also without incident. When I run ./mdrun-gpu -
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