[CPMD-list] Segmentation fault

[Axel Kohlmeyer]

On Tue, 20 Mar 2007, A.yangthaisong wrote:

AY> Dear all,
AY> 

AY> I need some helps and advices. I got cpmd code some time ago. The
AY> code was compiled successfully on SuSe-linux AMD64-bit, using absoft
AY> fortran compiler. Anyway, when I tried to run the code using example
AY> input file, I got a message like "segmentation fault". An exact
AY> message is shown below.

[...]

AY>     LDA XC THROUGH PADE APPROXIMATION
AY>     S.GOEDECKER, J.HUTTER, M.TETER PRB 54 1703 (1996)
AY> 
AY> Segmentation fault

this is where cpmd starts using allocated memory.
my guess is, that you have used the PC-ABSOFT
config, but compiled for 64-bit mode (the config
is for 32-bit!). you may get away with adding
-DPOINTER8 to CPPFLAGS and doing: 'make clean; make'

other than that, you'll have to enable core dumping
and figure out where it segfaults or try a compiler
that is known to compile cpmd correctly.

good luck,
   axel.

[...]

AY> 
AY> Many thanks in advance for any help.
AY> 
AY> Regards,
AY> Anucha Yangthaisong
AY> _______________________________________________
AY> CPMD-list mailing list
AY> CPMD-list at cpmd.org
AY> http://cpmd.org/mailman/listinfo/cpmd-list
AY> 

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