[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
More information about the CPMD-list
mailing list