Re: [AMBER] pmemd.cuda error running MD simulation

From: David A Case via AMBER <amber.ambermd.org>
Date: Sat, 20 Jan 2024 16:13:46 -0700

On Sat, Jan 20, 2024, Arsene Marian Alain via AMBER wrote:
>
>I'm trying to run an MD simulation with pmemd.cuda on a TESLA T4 GPU
>using Amber22. When I run the file "jobfile_production.sh" as in the
>example<https://ambermd.org/tutorials/basic/tutorial14/index.php>, I get an
>error "cudaGetDeviceCount failed unknown error". I guess it's not a problem
>of the "CUDA_VISIBLE_DEVICES=0" varbiale because I checked my GPU ID. I'm
>using Rocky Linux 8.6 with CUDA 12. Here's my output:

Do the pmemd.cuda test cases pass? That will help determine if the problem
is specific to your simulation, or a more general failure in CUDA
installation.

...dac


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Received on Sat Jan 20 2024 - 15:30:03 PST
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