Re: [gmx-users] Performance of GROMACS on GPU's on ORNL Titan?

2019-02-13 Thread pbuscemi
Paul -Original Message- From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se On Behalf Of Michael Shirts Sent: Wednesday, February 13, 2019 1:28 PM To: Discussion list for GROMACS users ; Michael R Shirts Subject: [gmx-users] Performance of GROMACS on GPU's on ORNL Titan? Does a

[gmx-users] Performance of GROMACS on GPU's on ORNL Titan?

2019-02-13 Thread Michael Shirts
Does anyone have experience running GROMACS on GPU's on Oak Ridge National Labs Titan or Summit machines, especially parallelization over multiple GPUs? I'm looking at applying for allocations there, and am interested in experiences that people have had. We're probably mostly looking at systems in