Merge release-5-0 into master
authorRoland Schulz <roland@utk.edu>
Wed, 26 Nov 2014 01:10:03 +0000 (20:10 -0500)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 26 Nov 2014 10:05:54 +0000 (11:05 +0100)
Conflicts:
src/gromacs/mdlib/domdec.cpp (std::max)

Change-Id: Iaa77c561f52cf5815c35cb08008cf578d1be2314

1  2 
CMakeLists.txt
src/gromacs/domdec/domdec.cpp
src/gromacs/gmxana/gmx_trjcat.c
src/gromacs/gmxlib/txtdump.c
src/gromacs/gmxpreprocess/calc_verletbuf.c
src/gromacs/gmxpreprocess/readrot.c
src/gromacs/mdlib/nbnxn_internal.h
src/gromacs/mdlib/nbnxn_search.c
src/gromacs/mdlib/update.cpp
src/gromacs/pulling/pull_rotation.c

diff --cc CMakeLists.txt
Simple merge
index 6074bcc9ab5ed6b640e121d08bb7d3cca9b5b9e6,307276d49dc73c35e2c6c5320c3311d54330bb52..f70b5c902d483c1398212b4ff11c54ce97efa2bd
@@@ -6830,18 -6816,18 +6830,18 @@@ gmx_domdec_t *init_domain_decomposition
                  /* No special bonded communication,
                   * simply increase the DD cut-off.
                   */
 -                r_bonded_limit     = 1.1*max(r_2b, r_mb);
 +                r_bonded_limit     = tenPercentMargin*std::max(r_2b, r_mb);
                  comm->cutoff_mbody = r_bonded_limit;
 -                comm->cutoff       = max(comm->cutoff, comm->cutoff_mbody);
 +                comm->cutoff       = std::max(comm->cutoff, comm->cutoff_mbody);
              }
          }
-         comm->cellsize_limit = std::max(comm->cellsize_limit, r_bonded_limit);
          if (fplog)
          {
              fprintf(fplog,
                      "Minimum cell size due to bonded interactions: %.3f nm\n",
-                     comm->cellsize_limit);
+                     r_bonded_limit);
          }
 -        comm->cellsize_limit = max(comm->cellsize_limit, r_bonded_limit);
++        comm->cellsize_limit = std::max(comm->cellsize_limit, r_bonded_limit);
      }
  
      if (dd->bInterCGcons && rconstr <= 0)
Simple merge
Simple merge
Simple merge
Simple merge
Simple merge
Simple merge
Simple merge