Re: [AMBER] md simulation error

From: David A Case <>
Date: Fri, 27 Nov 2020 17:14:23 -0500

On Fri, Nov 27, 2020, Kehinde Idowu wrote:

>Please, I am running an md simulation on GPU but the job is
>terminated giving this error message 'Post job file processing error;
>job3194139.sched01 on host gpu4002' .

>I have checked my md_error file, this is the message I am
>getting 'Note: The following floating-point exceptions are

This is not an error, but a common message. What kind of output did you
get? Does it look like things finished normally? Did it get almost to
the end, and then fail, or fail right at the beginning? Does a (perhaps
shorter) CPU job with the same input work OK?

Does your script do anything after the Amber run, such as copy/move or
remove files? It's possible that the "post job file processing error"
has nothing to do with Amber per se.


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Received on Fri Nov 27 2020 - 14:30:02 PST
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