dev-manual/tools.rst
dev-manual/uncrustify.rst
fragments/doxygen-links.rst
+ how-to/index.rst
+ how-to/beginners.rst
+ how-to/topology.rst
+ how-to/special.rst
+ how-to/visualize.rst
install-guide/index.rst
release-notes/index.rst
+ release-notes/2019/2019.3.rst
+ release-notes/2019/2019.2.rst
+ release-notes/2019/2019.1.rst
+ release-notes/2019/major/highlights.rst
+ release-notes/2019/major/features.rst
+ release-notes/2019/major/performance.rst
+ release-notes/2019/major/tools.rst
+ release-notes/2019/major/bugs-fixed.rst
+ release-notes/2019/major/removed-functionality.rst
+ release-notes/2019/major/deprecated-functionality.rst
+ release-notes/2019/major/portability.rst
+ release-notes/2019/major/miscellaneous.rst
+ release-notes/2018/2018.7.rst
release-notes/2018/2018.6.rst
release-notes/2018/2018.5.rst
release-notes/2018/2018.4.rst
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2012,2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
- * Copyright (c) 2012,2013,2014,2015,2016,2017,2019, by the GROMACS development team, led by
++ * Copyright (c) 2012,2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
* to reduction of parts of the force buffer that could be avoided. But since
* the original lists are quite balanced, this will only give minor overhead.
*/
-static void rebalanceSimpleLists(int numLists,
- nbnxn_pairlist_t * const * const srcSet,
- nbnxn_pairlist_t **destSet,
- nbnxn_search_work_t *searchWork)
+static void rebalanceSimpleLists(int numLists,
+ nbnxn_pairlist_t * const * const srcSet,
+ nbnxn_pairlist_t **destSet,
+ gmx::ArrayRef<nbnxn_search_work_t> searchWork)
{
- int ncjTotal = 0;
- for (int s = 0; s < numLists; s++)
- {
- ncjTotal += srcSet[s]->ncjInUse;
- }
+ int ncjTotal = countClusterpairs(numLists, srcSet);
int ncjTarget = (ncjTotal + numLists - 1)/numLists;
#pragma omp parallel num_threads(numLists)