[CPMD-list] Segmentation fault

[A.yangthaisong]

Hi Axel,

Thank for your initial response.


Axel>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'

I 've tested as you suggest. Finaly, i got a message like the old one but with addition message :

==============================
EXCHANGE CORRELATION FUNCTIONALS
    LDA EXCHANGE:                                            NONE
    LDA XC THROUGH PADE APPROXIMATION
    S.GOEDECKER, J.HUTTER, M.TETER PRB 54 1703 (1996)

 ***     DETSP| SIZE OF THE PROGRAM IS    1152/  54308 kBYTES ***

 ****************************************************************
 PROCESSOR     0 ALLOCATION OF           8 WORDS OF MEMORY FAILED
 ****************************************************************

 ***    MEMORY| SIZE OF THE PROGRAM IS    1224/  55336 kBYTES ***

 ================================================================
                      BIG MEMORY ALLOCATIONS
 WGH                  120                RGH                  120
 VR                 20080                RV                  5020
 RCGRID              5020                GNL                80320
 RPS                20080                CORECG              5020
 RW                  5020                NGHTOL               120
 ----------------------------------------------------------------
 [PEAK NUMBER   18]      PEAK MEMORY       141253 =    1.1 MBytes
 ================================================================


 PROGRAM STOPS IN SUBROUTINE MEMORY| ALLOCATION FAILED (gratom)
999                                                               

===========================================
Any advice, please!.

 

Regards,
Anucha Yangthaisong