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

[Dr Seth OLSEN]

Hi Ross,

I am running the parallel version, but the %cpu does not depend on the nproc for any number between 1 and 8 as far as I can tell.

Cheers,

Seth

ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms

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 

ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms




----- Original Message -----
From: Ross Nobes <Ross.Nobes at uk.fujitsu.com>
Date: Monday, March 7, 2005 11:11 pm
Subject: RE: [molpro-user] performance on Sun ultraSparc, solaris 9

> Hi Seth,
> 
> Are you running the serial version or a parallel version of MOLPRO
> please? If it is the former, what %CPU values are you seeing from
> prstat, keeping in mind that the most you would ever see on an 8-CPU
> machine is 12.5%?
> 
> Best wishes,
> Ross
> ---
> Ross Nobes
> Manager, Physical and Life Sciences Research Group
> Fujitsu Laboratories of Europe
> Hayes Park Central, Hayes End Road
> Hayes, Middlesex UB4 8FE, UK
> Phone +44 (0) 77 7195 6113
> Fax +44 (0) 20 8606 4539
> E-mail Ross.Nobes at uk.fujitsu.com
> 
> > -----Original Message-----
> > From: owner-molpro-user at molpro.chem.cf.ac.uk [owner-molpro-
> > user at molpro.chem.cf.ac.uk] On Behalf Of Dr Seth OLSEN
> > Sent: 07 March 2005 01:54
> > To: molpro-user at molpro.net
> > Subject: [molpro-user] performance on Sun ultraSparc, solaris 9
> > 
> > 
> > Hi Molpro-users,
> > 
> > I'm running MolPro on an 8-cpu Sun UltraSPARC SMP box (running 
> solaris9)
> > 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
> > 
> > 
> > ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms
> > 
> > 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
> > 
> > ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms
> > 
> > 
> > 
> 
>