Re: [AMBER] sander.MPI aborted

From: Téletchéa Stéphane via AMBER <amber.ambermd.org>
Date: Fri, 27 Jun 2025 12:22:36 +0200

Le 27/06/2025 à 11:30, Priyasha Majee via AMBER a écrit :
> I checked my input file, command, and directories.
> Can someone help with this problem?
It seems you have not checked the log files ... Any hint in there?

Otherwise, is the simulation running fine in cuda (non -MPI) or even in
single thread mode?

Best,

Stéphane 

-- 
Maître de conférences Hors Classe, PEDR, HDR
US2B, Nantes Université, CNRS, UMR 6286, Team Structural Bioinformatics, F-44000 Nantes
http://www.us2b.univ-nantes.fr/ - http://www.steletch.org
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Received on Fri Jun 27 2025 - 03:30:03 PDT
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