From: Roland Schulz <roland.schulz@intel.com>
Date: Tue, 7 Jan 2020 21:43:32 +0000 (-0800)
Subject: Merge release-2019 into release-2020
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=e05cc33ecfd0c65bb11da87808485a5c83741270;p=alexxy%2Fgromacs.git

Merge release-2019 into release-2020

Change-Id: I34a795ad1fdc805d056401932f8c543ed77cfae7
---

e05cc33ecfd0c65bb11da87808485a5c83741270
diff --cc src/gromacs/pulling/pullutil.cpp
index 87589994f0,ad33117e18..92dc7ef24c
--- a/src/gromacs/pulling/pullutil.cpp
+++ b/src/gromacs/pulling/pullutil.cpp
@@@ -517,16 -526,19 +517,21 @@@ static void sum_com_part_cosweight(cons
  }
  
  /* calculates center of mass of selection index from all coordinates x */
+ // Compiler segfault with 2019_update_5 and 2020_initial
 -#if defined(__INTEL_COMPILER) && ((__INTEL_COMPILER == 1900 && __INTEL_COMPILER_UPDATE >= 5) || __INTEL_COMPILER >= 1910)
 -#pragma intel optimization_level 2
++#if defined(__INTEL_COMPILER) \
++        && ((__INTEL_COMPILER == 1900 && __INTEL_COMPILER_UPDATE >= 5) || __INTEL_COMPILER >= 1910)
++#    pragma intel optimization_level 2
+ #endif
 -void pull_calc_coms(const t_commrec *cr,
 -                    pull_t *pull,
 -                    const t_mdatoms *md,
 -                    t_pbc *pbc,
 -                    double t,
 -                    const rvec x[], rvec *xp)
 +void pull_calc_coms(const t_commrec* cr,
 +                    pull_t*          pull,
 +                    const t_mdatoms* md,
 +                    t_pbc*           pbc,
 +                    double           t,
 +                    const rvec       x[],
 +                    rvec*            xp)
  {
      real         twopi_box = 0;
 -    pull_comm_t *comm;
 +    pull_comm_t* comm;
  
      comm = &pull->comm;