[CPMD-list] CPMD on 64-bit Linux (openSUSE 10.3) Intel Xeon

[Axel Kohlmeyer]

On Mon, 7 Apr 2008, oksana ismailova wrote:

OI> Dear  cpmd users and experts,
OI> 
OI> Has anyone successfully compiled CPMD on 64-bit Linux (openSUSE 10.3) 
OI> Intel
OI> Xeon using ifort 10.1?

yes. i've compiled it on ia64 and x86_64

OI> I see people have used ifort 9.1 on 32-bit
OI> 
OI> (http://cpmd.org/mailman/htdig/cpmd-list/2006-July/003361.html)
OI> 
OI> There is not a suitable Makefile for this configuration. I have used
OI> PC-IFC-P4 and IFORT-AMD64 as a basis, with multiple variations but have 

you have to use IFORT-AMD64 as starting point and then adapt it
according to your local installation. what BLAS/LAPACK library
are you using?

cheers,
   axel.

OI> yet
OI> to successfully complete a compile.
OI> 
OI> Thanks in advance.
OI> oksana
OI> 
OI> 
OI> 
OI> 
OI> 
OI> 
OI> 
OI> 
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OI> 

-- 
=======================================================================
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
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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