[CPMD-list] MEMORY ALLOCATION FAILED

[Axel Kohlmeyer]

>>> "RB" == Rad Balu <radbalu at comcast.net> writes:

RB> Dear All,

hi,

RB> I am having some issues in running the test programs that is provided at the 
RB> cpmd.org site. When I ran the code using the test inputs I get, "MEMORY| 
RB> ALLOCATION FAILED" error message.

RB> My machine is an AMD64 based running suse linux 9.0 professional and I 
RB> compiled the code using portland group compiler. Here is my make file:

RB> $(QMMM_LIBS)
RB> CFLAGS =
RB> CPP = /lib/cpp -P -C -traditional
RB> CPPFLAGS = -D__Linux -D__PGI -DLAPACK -DFFT_DEFAULT
RB> NOOPT_FLAG =
RB> CC = gcc -O2 -Wall
RB> FC = pgf90 -c -fast
RB> LD = pgf90 -fast
RB> AR =

you are missing the POINTER8 define. you need that on all
64-bit machines, that have 32bit integers.

for your reference these are my settings:

FFLAGS = -r8 -pc=64 -Msignextend  
LFLAGS = -Bstatic -L. -latlas_x86-64 $(QMMM_LIBS)
#LFLAGS = -Bstatic -L/opt/acml/pgi64/lib/ -lacml $(QMMM_LIBS) -lpgmp -lpthread
CFLAGS = 
CPP = /lib/cpp -P -C -traditional
CPPFLAGS = -D__Linux -D__PGI -DLAPACK -DFFT_DEFAULT -DPOINTER8 -D__pgf90  
NOOPT_FLAG = 
CC = cc
FC = pgf90 -c -fastsse -tp k8-64
LD = pgf90 -fastsse -tp k8-64
AR = 


hope this helps,
     axel kohlmeyer.


RB> Here is the error message:
RB>  ****************************************************************
RB>  PROCESSOR     0 ALLOCATION OF       20080 WORDS OF MEMORY FAILED
RB>  ****************************************************************



RB>  ***    MEMORY| THE NEW SIZE OF THE PROGRAM IS    1348 kBYTES ***

RB>  ================================================================
RB>                       BIG MEMORY ALLOCATIONS
RB>  TAU0                 189                VELP                 189
RB>  NGHCOM               100                WSG                  100
RB>  NGHTOL               100                RGH                  100
RB>  WGH                  100                LVELINI               64
RB>  BL                    12                RCL                   12
RB>  ----------------------------------------------------------------
RB>  [PEAK NUMBER   11]      PEAK MEMORY          978 =    0.0 MBytes
RB>  ================================================================


RB>  PROGRAM STOPS IN SUBROUTINE MEMORY| ALLOCATION FAILED (GNL)
RB>   999

RB> Here is my shell parameters:
RB> core file size        (blocks, -c) unlimited
RB> data seg size         (kbytes, -d) unlimited
RB> file size             (blocks, -f) unlimited
RB> max locked memory     (kbytes, -l) unlimited
RB> max memory size       (kbytes, -m) unlimited
RB> open files                    (-n) 1024
RB> pipe size          (512 bytes, -p) 8
RB> stack size            (kbytes, -s) unlimited
RB> cpu time             (seconds, -t) unlimited
RB> max user processes            (-u) 8191
RB> virtual memory        (kbytes, -v) unlimite

RB> Any suggestions to help me resolve this issue will be appreciated.

RB> Thanks
RB> Rad

RB> Graduate Student

RB> _______________________________________________
RB> CPMD-list mailing list
RB> CPMD-list at cpmd.org
RB> http://www.cpmd.org/mailman/listinfo/cpmd-list



--

=======================================================================
Axel Kohlmeyer       e-mail: axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum  http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.