From: Thibaut Very (thibaut.very_at_idris.fr)
Date: Mon May 11 2020 - 03:20:50 CDT
I would like to know if there is a way to configure NAMD and Charm++ to
run Replica exchange job with GPU support over several nodes on our
We have a Intel Omni-Path network and our job scheduler is Slurm. Each
node has 4 V100 GPUs.
From what I have seen on the mailing list, there are mutually
incompatible options to compile CHARM++ and NAMD to solve the different
What our users would like, is to run with NVidia GPUs on several nodes.
We run NAMD 2.13 and CHARM++ 6.10.1.
-- Thibaut Very Support Utilisateurs·trices thibaut.very_at_idris.fr +33169358569 http://www.idris.fr IDRIS - Bat.506 - BP 167 - 91403 Orsay Cedex - France
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