[gmx-developers] Hardware threads vs. OpenMP threads

David van der Spoel spoel at xray.bmc.uu.se
Thu Jun 4 11:21:05 CEST 2015


why does GROMACS in the master branch not adhere to the OpenMP environment?

Number of hardware threads detected (16) does not match the number 
reported by OpenMP (8).
Consider setting the launch configuration manually!
Reading file md.tpr, VERSION 5.1-beta1-dev-20150603-99a1e1f-dirty 
(single precision)
Changing nstlist from 10 to 40, rlist from 1.1 to 1.1

Using 1 MPI process
Using 16 OpenMP threads

David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se

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