Re: [AMBER] Minimization run error

From: David A Case via AMBER <amber.ambermd.org>
Date: Tue, 25 Feb 2025 09:20:48 -0700

On Mon, Feb 24, 2025, Sudipti Priyadarsinee via AMBER wrote:

>I submitted a minimization run nut i got the following errors in slurm file
>and output file.
>
>*Slurm file with errors:Program received signal SIGSEGV: Segmentation fault

This message just says the job failed. We would need more information about
what you are trying to do, which program you are running, what is actually
in the mdout file, and so on. Please set maxcyc=10 and ntpr=1 when you run
these.

....dac


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Received on Tue Feb 25 2025 - 08:30:02 PST
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