[molpro-user] molpro using more than 100% CPU with em64t

[Joseph Lane]

Hi there

I am getting some unusual behaviour when running jobs on our new Xeon
multicore cluster (8 cores per node). When run in parallel (using tcgmsg)
molpro correctly creates 'n' execution threads and 1 shepherd thread.
However, the 'n' execution threads use all available CPU resources. If I
request molpro -n4, each thread uses 200% CPU and so the 'load' on the
system is seen as 8 not 4 as it should be. Is this a consequence of using
tcgmsg and will mpi solve this problem? Or is the problem more to do with
architecture and if so how can I stop molpro jobs from using more than
their allocated CPU.

As always, any help would be most appreciated.


Cheers


Jo



-- 
Joseph Lane
Department of Chemistry
University of Otago
P.O. Box 56
Dunedin, New Zealand
ph +64 3 479 5378
email : jlane at alkali.otago.ac.nz