[CPMD-list] Memory error

Pinilla Castellanos Carlos carlospi at estudiantes.fisica.unal.edu.co
Sat Mar 1 18:21:40 CET 2003


hello,all

I have one problem running a job that requires a large amount of
memory. the message of error is :

**    MEMORY| THE NEW SIZE OF THE PROGRAM IS    3812 kBYTES ***

 ================================================================
                      BIG MEMORY ALLOCATIONS
 SCR            139842016                C0                117768
 ATWFR             100400                WORK              100400
 PME                44160                RS1                40160
 RS3                40160                RS2                40160
 RPS                20080                GNL                20080
 ----------------------------------------------------------------
 [PEAK NUMBER   86]      PEAK MEMORY    140295597 = 1122.4 MBytes
 ================================================================
     
   
 ================================================================
                     SWAP FILES INFORMATION
 ================================================================
 SWAP FILE NAME:     /home/carlospi/calculos/bandasSi/SWAP_2.9005SWAP FILE
NUMBER:                                              2
 SWAP FILE UNIT:                                               52
 SWAP FILE ACCESS:                                     SEQUENTIAL
 NUMBER OF RECORDS:                                            16
 CURRENT RECORD:                                               14
 NUMBER OF VARIABLES:                                           4
 NUMBER OF BLOCK PER VARIABLE:                                  4
     1 HGKP                                 (IN MEMORY BLOCK=  1)
     BLOCK=    1 REC=    1  SIZE=   13120 WRITE=    1  READ=    3
     BLOCK=    2 REC=    3  SIZE=   13120 WRITE=    1  READ=    2
     BLOCK=    3 REC=    5  SIZE=   13120 WRITE=    1  READ=    2
    BLOCK=    3 REC=    5  SIZE=   13120 WRITE=    1  READ=    2
     BLOCK=    4 REC=    7  SIZE=    2460 WRITE=    1  READ=    2
     2 HGKM                                 (IN MEMORY BLOCK=  1)
     BLOCK=    1 REC=    2  SIZE=   13120 WRITE=    1  READ=    3
     BLOCK=    2 REC=    4  SIZE=   13120 WRITE=    1  READ=    2

 BLOCK=    4 REC=    8  SIZE=    2460 WRITE=    1  READ=    2
     3 MASKGW                               (IN MEMORY BLOCK=  1)
     BLOCK=    1 REC=    9  SIZE=    6304 WRITE=    1  READ=    2
     BLOCK=    2 REC=   10  SIZE=    6304 WRITE=    1  READ=    1
     BLOCK=    3 REC=   11  SIZE=    6304 WRITE=    1  READ=    1
     BLOCK=    4 REC=   12  SIZE=    1182 WRITE=    1  READ=    1
     4 TWNL                                 (IN MEMORY BLOCK=  1)
     BLOCK=    1 REC=   13  SIZE=    7360 WRITE=    1  READ=    1
     BLOCK=    2 REC=   14  SIZE=    7360 WRITE=    1  READ=    0
     BLOCK=    3 REC=   15  SIZE=    7360 WRITE=    1  READ=    0
     BLOCK=    4 REC=   16  SIZE=    1380 WRITE=    1  READ=    0
 ================================================================
 STOPGM! STACK OF MAIN CALLS:
 STOPGM! CALL      RKPNT
 STOPGM! CALL     ATOMWF
PROGRAM STOPS IN SUBROUTINE MEMORY| ALLOCATION FAILED (EIGKR) 


Although my machine has 2GB RAM memory. I have RetHat 7.2 in intel xeon
processor and ifc 6.0. Is problem in (compiler/linking)?

the makefile is:
SRC  = .
DEST = .
BIN  = .
#QMMM_FLAGS = -D__QMECHCOUPL
#QMMM_LIBS  = -L. -lmm
FFLAGS = -c -r8 -w90 -w95 -O3 -pc64 -axM -ip -tpp7
LFLAGS = -L/opt/intel/mkl/lib/32/ -lmkl_lapack -lmkl_p4 \
        -lguide -lpthread -Vaxlib $(QMMM_LIBS)
CFLAGS = -c -O2 -Wall
CPP = /lib/cpp -P -C -traditional
CPPFLAGS = -D__Linux -D__PGI -DLAPACK -DFFT_DEFAULT -DLINUX_IFC
NOOPT_FLAG =
CC = gcc 
FC = ifc
LD = ifc





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