Re: [gmx-users] Gromacs-GPU help

2019-08-17 Thread Benson Muite
Hi, This may also be helpful: http://www.hecbiosim.ac.uk/jade-benchmarks https://github.com/hpc-uk/archer-benchmarks/blob/master/reports/single_node/index.md#tab16 Regards, Benson On 8/16/19 5:45 AM, Benson Muite wrote: Hi, You may wish to search the list archives as indicated at: Please

Re: [gmx-users] Gromacs-GPU help

2019-08-15 Thread Benson Muite
Hi, You may wish to search the list archives as indicated at: Please search the archive athttp://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! See also: https://arxiv.org/abs/1903.05918 Benson On 8/16/19 5:37 AM, tarzan p wrote: Hi all,I have started using GROMACS

[gmx-users] Gromacs-GPU help

2019-08-15 Thread tarzan p
Hi all,I have started using GROMACS recently on my work station (2 X Intel 6148 (20 cores each) and 2 x tesla v100 .I have compiled it as per the instructions atRun GROMACS 3X Faster on NVIDIA GPUs | | | | | | | | | | | Run GROMACS 3X Faster on NVIDIA GPUs Complete your molecular