Re: [AMBER] TI production error in nstep =1

From: David A Case <>
Date: Fri, 6 Mar 2020 07:48:17 -0500

On Thu, Mar 05, 2020, Debarati DasGupta wrote:

>Error: an illegal memory access was encountered launching kernel kNLSkinTest
>Any ideas on how to tackle this error?

What happens if you run the same short job on a CPU? Do you see rapid
energy changes on the first few steps?

Are you able to share the input files so that someone (not me!) could
try to reproduce the problem?


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Received on Fri Mar 06 2020 - 05:00:01 PST
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