Refactored mdrun resource division
authorBerk Hess <hess@kth.se>
Wed, 22 Apr 2015 09:42:57 +0000 (11:42 +0200)
committerRoland Schulz <roland@utk.edu>
Sun, 14 Jun 2015 05:28:19 +0000 (01:28 -0400)
commite9ca6039cd82cc4184372fee701b212a4b2d1ee1
tree7ea0c15d7290111eefdb210f7bad690498240fc7
parent12867f75c8a3ef04f72b028d8be81a0864535820
Refactored mdrun resource division

The functions concerned with divided MPI/thread resources have been
moved from runner.cpp to the new file resource-division.cpp.
Set min_atoms_per_mpi_rank to 1 for NM and TPI to avoid compiler
warning and for NM on systems of a few atoms.

Change-Id: I94f770c47b4b5ca03de8f5a29a165631796204ad
src/programs/mdrun/resource-division.cpp [new file with mode: 0644]
src/programs/mdrun/resource-division.h [new file with mode: 0644]
src/programs/mdrun/runner.cpp