| commit | c5418567ddacf001658f50bca8556344d77d119e | |
| author | Jochen Hub <jhub@gwdg.de> | |
| Fri, 6 Sep 2013 08:39:59 +0000 (6 10:39 +0200) | ||
| committer | David van der Spoel <spoel@xray.bmc.uu.se> | |
| Tue, 12 May 2015 12:06:42 +0000 (12 14:06 +0200) | ||
| tree | 4c28b2c40549c91b3ab4c0ae388fc6dadf5d69ba | treesnapshot (tar.gz zip) |
| parent | c646fb72f5d4c6271a9d59a6d1ed07fd83aa29db | commitdiff |
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
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 | diffblobblamehistory |