From: Roland Schulz <roland@utk.edu>
Date: Fri, 5 Jun 2015 18:15:33 +0000 (-0400)
Subject: Merge release-5-0 into master
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=940c34d88869760647c74d664801e9101b0f70d0;p=alexxy%2Fgromacs.git

Merge release-5-0 into master

Conflicts:
	src/gromacs/gmxlib/rbin.c
(added also ICC16)
	src/gromacs/mdlib/tpi.cpp
(gmx_simd_check_and_reset_overflow was removed already
in master branch, so no changes needed here)
        src/programs/mdrun/runner.cpp
(adjacent additions)

Change-Id: I85d92bce71ebeb6e38ac63bb61c3931d5bb54c16
---

940c34d88869760647c74d664801e9101b0f70d0
diff --cc src/programs/mdrun/runner.cpp
index ffa7a8df29,744e9f501e..8956d4442b
--- a/src/programs/mdrun/runner.cpp
+++ b/src/programs/mdrun/runner.cpp
@@@ -1383,29 -1562,8 +1398,16 @@@ int mdrunner(gmx_hw_opt_t *hw_opt
                            (cr->duty & DUTY_PP) == 0,
                            inputrec->cutoff_scheme == ecutsVERLET);
  
 +#ifndef NDEBUG
 +    if (integrator[inputrec->eI].func != do_tpi &&
 +        inputrec->cutoff_scheme == ecutsVERLET)
 +    {
 +        gmx_feenableexcept();
 +    }
 +#endif
-     if (PAR(cr))
-     {
-         /* The master rank decided on the use of GPUs,
-          * broadcast this information to all ranks.
-          */
-         gmx_bcast_sim(sizeof(bUseGPU), &bUseGPU, cr);
-     }
 +
      if (bUseGPU)
      {
-         if (cr->npmenodes == -1)
-         {
-             /* Don't automatically use PME-only nodes with GPUs */
-             cr->npmenodes = 0;
-         }
- 
          /* Select GPU id's to use */
          gmx_select_gpu_ids(fplog, cr, &hwinfo->gpu_info, bForceUseGPU,
                             &hw_opt->gpu_opt);