Re: [AMBER] decompose running error

From: David A Case <>
Date: Fri, 5 Feb 2021 08:45:06 -0500

On Fri, Feb 05, 2021, Nisha Amarnath Jonniya wrote:

>CalcError: /apps/scratch/compile/amber18/bin/sander failed with prmtop
>Error occured on rank 2.
>Exiting. All files have been retained.

Please look at the mdout files for the sander run that used
com_nowat.prmtop. Also, try a test run with the serial version of, to see if that helps, or maybe gives better error messages.


AMBER mailing list
Received on Fri Feb 05 2021 - 06:00:04 PST
Custom Search