how to run cp2k with popt(openmp) or psmp(mpi+openmp)?
flosch... at gmail.com
Sat Apr 26 09:26:06 CEST 2014
For the serial case it is enough to set the environment variable
OMP_NUM_THREADS locally before you run.
For mixed mode MPI/openmp runs you will need to write a submission script
which contains the OMP_NUM_THREADS and sets it on every host. If you run on
a cluster it depends on the job submission system how the details have to
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the CP2K-user