[gmx-developers] init_bonded_threading confusion
David van der Spoel
spoel at xray.bmc.uu.se
Fri Feb 26 16:36:59 CET 2016
I'm (deep)linking my code to gromacs (so could have forgotten some
initialization). Running on Apple with clang, so no OpenMP.
Therefore when in the mentioned routine we have:
/* These thread local data structures are used for bondeds only */
bt->nthreads = gmx_omp_nthreads_get(emntBonded);
it returns 0, not surprising, or is it?
Down the road in listed-forces.cpp we have
#pragma omp parallel for num_threads(bt->nthreads) schedule(static)
for (thread = 0; thread < bt->nthreads; thread++)
// Compute all the bonded forces and energies
However, since the number of threads is zero, no bonded forces are
computed. Am I missing something that is going on under the hood?
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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