[molpro-user] performance on Sun ultraSparc, solaris 9

[Dr Seth OLSEN]

Hi Molpro-users,

I'm running MolPro on an 8-cpu Sun UltraSPARC SMP box (running solaris 9) with 30G Ram.  I have been trying some test jobs and it seems that MolPro is not making good use of the available resources, in the sense that I see low %CPU values when I check prstat.  Are there system parameters that should be tweaked when I try to run MolPro on this system.  I have already reset shmmax to 4GB.  It this recommended?  Is there a better value for shmmax.  I know that the low cpu utilization can't be due to excessive disk i/o because I see this phenomenon even if I run under GDIRECT.  Are there any insights available as to how I can get the most out of MolPro on this system?

Cheers,

Seth


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Dr Seth Olsen, PhD
Postdoctoral Fellow, Computational Systems Biology Group
Centre for Computational Molecular Science
Chemistry Building,
The University of Queensland
Qld 4072, Brisbane, Australia

tel (617) 33653732
fax (617) 33654623
email: s.olsen1 at uq.edu.au
Web: www.ccms.uq.edu.au 

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