[gmx-users] Gromacs GPU

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 I would like to get request for a proper benchmark for GPU version and would like to know how to

[gmx-users] Gromacs-GPU help

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

[gmx-users] AVX_512 and GROMACS

Hi all.I have a dual socket Xeon GOLD 6148 which has the capabilities for Instruction Set Extensions Intel® SSE4.2, Intel® AVX, Intel® AVX2, Intel® AVX-512 but hen why si gromacs giving the error for AVX_512 but takes AVX2_256??? Adding the out put /Downloads/gromacs-2019/build-gromacs$

[gmx-users] benchmark of RIB

Hi allI am sure many of you guys would have run a benchmark of RIB system as given https://www.mpibpc.mpg.de/grubmueller/bench I could manage 12ns/day with a workstation with 2 x Gold 6148 (20 cores each) and 2 x V100 GPUs.  Can you guys post your performance results on a single node with a

[gmx-users] 3D monitors

Hi all..Am looking for some good 3D monitors (either passive or active)Need suggestions for some good 3D monitors for protein structure and interactions visualization... with best wishes -- Gromacs Users mailing list * Please search the archive at