Improve pair search thread load balance
authorBerk Hess <hess@kth.se>
Wed, 10 Jun 2015 08:07:35 +0000 (10:07 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Sat, 27 Jun 2015 22:40:39 +0000 (00:40 +0200)
commit301edb905b2c69d52f791284f569b09084e01a30
tree7f51d9840db20d4b5be4358397be820d06e4f51f
parent6106367bd902e228c32cfcf7e079f3fa6493c15a
Improve pair search thread load balance

With very small systems and many OpenMP threads, especially when
using GPUs, some threads can end up without pair search work. Better
load balancing reduces the pair search time. Also the CPU non-bonded
kernel time is slightly reduced in the extreme parallelization limit.

Change-Id: Ib036ea3ba59f497eeee7afa73a71fb0e0ccd216e
src/gromacs/mdlib/nbnxn_search.c