[CPMD-list] running cpmd on more than 512 procs

[Juerg Hutter]

Hi

I don't see any restriction after changing MAXCPU.
Can you give us more information what didn't work?
Input and output file would be a good start.
Unfortunately we don't have a computer of this size
for tests.

Juerg

----------------------------------------------------------
Juerg Hutter                   Phone : ++41 1 635 4491
Physical Chemistry Institute   FAX   : ++41 1 635 6838
University of Zurich           E-mail: hutter at pci.unizh.ch
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
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On 3 Jul 2002, Ivaylo Ivanov wrote:

> Hello all,
> I have a question regarding a restriction on the number of processors to
> be used in CPMD(in system.h there is a MAXCPU parameter set to 512).I
> would like to know if anyone has attempted to use CP with more than 512
> and if yes how to do it exactly.Apparently, just changing the parameter
> doesn't help.Thanks very much in advance.
> 
> Sincerely, Ivaylo Ivanov
>  
> -- 
> Ivaylo Ivanov
> Center for Molecular Modeling | University of Pennsylvania
> 231 S.34 Street,              | Philadelphia,PA 19104-6323
> tel: (215) 573 8697           | fax: (215) 573 6233 
> e-mail: iivanov at cmm.chem.upenn.edu
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