Re: [AMBER] 247 tests experienced errors

From: David A Case via AMBER <amber.ambermd.org>
Date: Fri, 19 May 2023 21:13:12 -0400

On Fri, May 19, 2023, Pertschy, Florian via AMBER wrote:

>Hello! I'm currently trying to install Amber22 with AmberTools23 on our
>Debian 11 cluster.

Can you say what GPUs you are targetting, and what version of the CUDA
toolkit you have? Also, what compilers are you using? Is there anything
else that might be unusual about your cluster?

Just to be sure, go to $AMBERHOME/test/cuda/dhfr and type './Run.dhfr DPFP'.
Look for anything odd in the output files you get (assuming you get the same
segfault as you reported.)

....dac


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Received on Fri May 19 2023 - 18:30:02 PDT
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