Skip to content

openmp: speedup of rbcavity by usage of multicore lib

Sebastian Jennen requested to merge zebastian1/rxdock:master into master

This patch series enables openmp (https://www.openmp.org/) in the meson build and leverages a time critical part on the rbcavity program.

Example:

In the following test case time rbcavity -d -W -r 1hp0_rdock.prm enabling openmp on a 4 core pc brought the execution time down from

real 0m3,743s user 0m3,589s sys 0m0,097s

to

real 0m1,786s user 0m4,004s sys 0m0,198s

which is roughly 50% (note the slight overhead of the multicore boilerplate execution in the user time). For slower prm files and higher core counts the results should be even better.

Merge request reports

Loading