Re: [gmx-users] Tests with Threadripper and dual gpu setup

2018-02-12 Thread Harry Mark Greenblatt
BS”D Did you build with or without hwloc? I did use hwloc. — Gromacs 2018 rc1 (using gcc 4.8.5) — Using AVX_256 You should be using AVX2_128 or AVX2_256 or Zen! The former will be fastest in CPU-only runs, the latter can often be (a bit) faster in GPU acce

Re: [gmx-users] Tests with Threadripper and dual gpu setup

2018-02-09 Thread Szilárd Páll
Hi, Thanks for the report! Did you build with or without hwloc? There is a known issue with the automatic pin stride when not using hwloc which will lead to a "compact" pinning (using half of the cores with 2 threads/core) when <=half of the threads are launched (instead of using all cores 1 thre

[gmx-users] Tests with Threadripper and dual gpu setup

2018-01-24 Thread Harry Mark Greenblatt
BS”D In case anybody is interested we have tested Gromacs on a Threadripper machine with two GPU’s. Hardware: Ryzen Threadripper 1950X 16 core CPU (multithreading on), with Corsair H100i V2 Liquid cooling Asus Prime X399-A M/B 2 X Geforce GTX 1080 GPU’s 32 GB of 3200MHz memory Samsung 850 Pro