[CPMD-list] Installing CPMD on the MAC-Intel platform

[Axel Kohlmeyer]

On Fri, 20 Oct 2006, Christian Simon wrote:

CS> 
CS> On 19 oct. 06, at 00:31, Yaser Rehem wrote:
CS> 
CS> > Has anyone successfully installed CPMD on an Intel based Mac?   If  
CS> > so, I’d love to get a copy of your Makefile.  I’m running OSX  
CS> > 10.4.7 (Kernel is Darwin 8.7.3) on an Intel Core 2 Duo.
CS> Yes, I can confirm we've successfully been running it, but we did it  
CS> with Intel Fortran compiler...
CS> (I am sorry FX !)
CS> 
CS> Apart the makefile, we also changed a few preprocessing directives,  
CS> as mentioned by Axel. There is nothing unexpected.
CS> 
CS> I still have not done large tests, but it seems we do not get full  
CS> benefit of the dual core, when using MPI...

i've seen some cpmd test numbers on dual processor, dual-core opteron 
and woodcrest recently and it seems that you can get better scaling 
from the opteron machine, but a better total performance from
woodcrest (with less than 3x the speed of a single core when using
all 4 cores).

salut,
   axel.

CS> 
CS> More soon,
CS> 
CS> Cheers,
CS> --
CS> Christian SIMON
CS> Laboratoire LI2C-UMR 7612               Bât. F74, pièce 757
CS> Université Pierre et Marie Curie        Tél:+33.1.44.27.32.65
CS> Case 51                                 Fax:+33.1.44.27.32.28
CS> 4 Place Jussieu
CS> 75252 Paris Cedex 05
CS> 
CS> 
CS> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
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