[Pw_forum] running in paralell

Eduardo Ariel Menendez Proupin eariel99 at gmail.com
Mon Sep 8 18:06:55 CEST 2008


Hi,
I have problem running pw using OpenMPI. It runs terribly slow if run in
different nodes (2 in this case). I think that the problem is in the OpenMP
parallelism included in the Intel Compiler and the MKL libraries.
The configure program sets the flag -openmp. If delete the flag,  get
unresolved libraries. To run using MPI, the MKL need the shell variable
OMP_NUMTHREADS=1 and MKL_NUM_THREADS=1.
With this, MPI works fine in one node. The problem is that running in two
nodes, the shell variables are not passed to the remote machine, and I have
not found how to do it, but there shluld be an easy way, or maybe in the
configuration of MPI.
Thanks
-- 
Eduardo Menendez
University of Chile
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