[CPMD-list] OpenMP Parallelization of CPMD

Jim Kress jimkress at kressworks.com
Tue Aug 19 02:14:48 CEST 2003


I have managed to get CPMD 3.7.2 running in parallel using MPI (MPICH) and the 
Portland Group Compilers (Thanks Axel!).  I'd like to try to get it to run in 
parallel with OpenMP to compare performance with MPI (MPICH).

The CPMD documentation alludes to OpenMP but gives no directions on how to do 
the necessary compiles.  Also, Configure has no (obvious) information on how 
to create an OpenMP parallel version of CPMD.

Anybody know how to do this and is willing to share with the list?

Thanks.

Jim



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