[CPMD-list] CPMD problem

[Axel Kohlmeyer]

On Fri, 27 Oct 2006, Ari P Seitsonen wrote:

AS> 
AS> Dear kkarthur,
AS> 
AS>    (Why) do you use 'AMD64' to compile on the Xeon? Then the compiler 

note, that many 'high-end' xeons these days are run in amd64 (= x86_64)
mode and thus the IFORT-AMD64 configuration is correct on those 
machines. one can tell the difference by running 'uname -m'
which should either produce 'i686' or 'x86_64'.

axel.

AS> inserts commands into the binary which are incompatible on the Xeon 
AS> architecture, that's why this kind of error message. Please start for 
AS> example the configuration 'PC-IFC-P4' for the Makefile.
AS> 
AS>      Greetings from Otaniemi/Finland,
AS> 
AS>         apsi
AS> 
AS> -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
AS>    Ari P Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
AS>    CNRS & IMPMC, Université Pierre et Marie Curie
AS>    Tel: +33-1-4427 7542, Fax: +33-1-4427 3785, GSM: +33-6-6736 3820
AS> 
AS> On Fri, 27 Oct 2006, kkarthur wrote:
AS> 
AS> > Dear CPMD users
AS> > I calculate the Pt(100) surface with 3x3x3,but I meet some problem.
AS> >
AS> > In Intel computer(Xeon), it has the error message like this:
AS> > forrtl: severe (168): Program Exception - illegal instruction
AS> >
AS> > But in AMD64, it hasn't this problem.
AS> >
AS> > I use the IFORT-AMD64 configulation to compiler the cpmd with 9.1036 intel fortran compiler.
AS> >
AS> > Can you tell some how to solve this problem?
AS> >

-- 
=======================================================================
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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