[CPMD-list] Segmentation fault

[Axel Kohlmeyer]

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

AY> Hi Axel,
AY> 
AY> Thank for your initial response.

[...]

AY> 
AY>  ****************************************************************
AY>  PROCESSOR     0 ALLOCATION OF           8 WORDS OF MEMORY FAILED
AY>  ****************************************************************
AY> 
AY>  ***    MEMORY| SIZE OF THE PROGRAM IS    1224/  55336 kBYTES ***
AY> 
AY>  ================================================================
AY>                       BIG MEMORY ALLOCATIONS
AY>  WGH                  120                RGH                  120
AY>  VR                 20080                RV                  5020
AY>  RCGRID              5020                GNL                80320
AY>  RPS                20080                CORECG              5020
AY>  RW                  5020                NGHTOL               120
AY>  ----------------------------------------------------------------
AY>  [PEAK NUMBER   18]      PEAK MEMORY       141253 =    1.1 MBytes
AY>  ================================================================
AY> 
AY> 
AY>  PROGRAM STOPS IN SUBROUTINE MEMORY| ALLOCATION FAILED (gratom)
AY> 999                                                               
AY> 
AY> ===========================================
AY> Any advice, please!.

try a different fortran compiler!

you have to check how absoft handles malloc.
i don't have this compiler available, 
so i cannot check it.

you may want to check out the file memory.F

cheers,
   axel.

AY> 
AY>  
AY> 
AY> Regards,
AY> Anucha Yangthaisong
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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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