On Fri, Oct 18, 2019 at 04:54:49PM +0200, Szilárd Páll wrote: > > The source of total number of hardware threads should not be OpenMP but a > system call or hwloc -- which should (and was IIRC a while ago at least) > checked agianst the gmx_omp_nthreads_get() value.
Yes, that's correct. The number of *hw threads* is determined from hwloc (if it's compiled in), and the number of mdrun threads is from OpenMP. However, the default assumption of OpenMP is that you have the whole node, and mdrun then concludes that pinning is OK. A. -- Ansgar Esztermann Sysadmin Dep. Theoretical and Computational Biophysics http://www.mpibpc.mpg.de/grubmueller/esztermann
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