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(parent: c646fb7) | patch
OpenMP parallelization of g_wham
authorJochen Hub <jhub@gwdg.de>
Fri, 6 Sep 2013 08:39:59 +0000 (10:39 +0200)
committerDavid van der Spoel <spoel@xray.bmc.uu.se>
Tue, 12 May 2015 12:06:42 +0000 (14:06 +0200)
commitc5418567ddacf001658f50bca8556344d77d119e
tree4c28b2c40549c91b3ab4c0ae388fc6dadf5d69batree | snapshot
parentc646fb72f5d4c6271a9d59a6d1ed07fd83aa29dbcommit | diff
OpenMP parallelization of g_wham

The inner loops of g_wham now allow OpenMP parallelization.
The computed PMFs are identical up to 5 digits at different number
of threads and compared to a previous version of g_wham. Compiles
also without OpenMP support. Number of threads set with option -nt.

Change-Id: I77fe01053386fa12f22e4303e8777ccd1ceaecd0
src/gromacs/gmxana/gmx_wham.cpp diff | blob | history
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