Re: [AMBER] gpu error

From: David A Case <dacase.chem.rutgers.edu>
Date: Sat, 24 Jul 2021 21:31:40 -0400

On Sun, Jul 25, 2021, Debarati DasGupta wrote:

>Maybe it has to do with ff19SB.

Just to double-check: have you applied all the updates to Amber20,
especially update.8? You can run "./update_amber --check-updates" from
the amber20_src folder to find out. Run "./update_amber --update" if you
need have unapplied updates.

....dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Jul 24 2021 - 19:00:02 PDT
Custom Search