Merge release-5-0 into master
authorRoland Schulz <roland@utk.edu>
Fri, 5 Jun 2015 18:15:33 +0000 (14:15 -0400)
committerRoland Schulz <roland@utk.edu>
Fri, 5 Jun 2015 18:15:42 +0000 (14:15 -0400)
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

1  2 
src/gromacs/gmxana/gmx_genion.c
src/gromacs/gmxlib/rbin.c
src/gromacs/gmxpreprocess/solvate.cpp
src/programs/mdrun/membed.c
src/programs/mdrun/runner.cpp

Simple merge
Simple merge
Simple merge
Simple merge
index ffa7a8df29037f2f94685d88b20eefad9d78b77b,744e9f501e301cede3bcaac6434dccf8d4eb2e13..8956d4442bedc77b0a0e49e6181e0be132a26fef
@@@ -1383,29 -1562,8 +1398,16 @@@ int mdrunner(gmx_hw_opt_t *hw_opt
                            (cr->duty & DUTY_PP) == 0,
                            inputrec->cutoff_scheme == ecutsVERLET);
  
-     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);
-     }
 +#ifndef NDEBUG
 +    if (integrator[inputrec->eI].func != do_tpi &&
 +        inputrec->cutoff_scheme == ecutsVERLET)
 +    {
 +        gmx_feenableexcept();
 +    }
 +#endif
 +
      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);