Merge branch release-2018 into release-2019
authorPaul Bauer <paul.bauer.q@gmail.com>
Fri, 14 Jun 2019 04:54:44 +0000 (06:54 +0200)
committerPaul Bauer <paul.bauer.q@gmail.com>
Fri, 14 Jun 2019 10:03:20 +0000 (12:03 +0200)
Change-Id: I50c1c93898246a8cbb9198227e1e77d483393bab

1  2 
docs/CMakeLists.txt
docs/release-notes/index.rst
src/gromacs/mdlib/nbnxn_search.cpp

index 62d0224211842628d9446bf7ff63e0be242525c3,96acd62c3b6b3a59847dd296808b64fa56437593..0c5c64d920c0f66afd6f6a487cc90945b7d8ccd7
@@@ -360,25 -123,9 +360,26 @@@ if (SPHINX_FOUND
          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
Simple merge
index db292857fd39895e4bd60716d665d0db9ca82cb3,10af3399bff5c050eb90a29d6766f5a0c557435a..8399236d1417af510247be52a68eaa6344f2a308
@@@ -1,7 -1,7 +1,7 @@@
  /*
   * 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.
@@@ -3956,16 -3926,12 +3982,12 @@@ static int countClusterpairs(const in
   * 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)