[gmx-users] simulation on 2 gpus

[Stefano Guglielmo]

Dear all,
I am trying to run simulation with Gromacs 2019.2 on a workstation with an
amd Threadripper cpu (32 core, 64 threads, 128 GB RAM and with two rtx 2080
ti with nvlink bridge. I read user's guide section regarding performance
and I am exploring some possibile combinations of cpu/gpu work to run as
fast as possible. I was wondering if some of you has experience of running
on more than one gpu with several cores and can give some hints as starting
point.
Thanks
Stefano


-- 
Stefano GUGLIELMO PhD
Assistant Professor of Medicinal Chemistry
Department of Drug Science and Technology
Via P. Giuria 9
10125 Turin, ITALY
ph. +39 (0)11 6707178