The ABINIT Users Mailing List ( CLOSED )

[verstraete@pcpm.ucl.ac.be]

Hi Jim,

When abinit says it will try to allocate 263 Mb, it already has some 
things in memory, so if loadleveler gave you exactly 270 Mb., it will 
overflow. Try with something much bigger like 500Mb if you can, or 
version 4.2 to see what happens. 

Independently, I have the impression that the latest versions of abinit
(after 4.1) often underestimate memory, and have given me similar problems
on different machines. Xavier?

Matthieu


On Thu, 13 Nov 2003, James Raynolds wrote:

> To all,
>  
>     I'm running abinit at the Maui Supercomputer center and having problems
> allocating more than 256MB of memory even though I'm specifying the memory
> requirement in the batch submission file under loadleveler.  Do I have to
> re-compile with a certain option?  The computer is an IBM SP system running
> AIX. I'm including excerpts from the loadleveler file below as well as from
> my makefile_macros file.
>  
> Sincerely,
> Jim Raynolds
> -------------------------------------------------------------------------err
> or message from
> abinit-----------------------------------------------------------
>  0:-P-0000  memana : ERROR -
>  0:-P-0000   Test failed to allocate     263.782 Mbytes
>  0:-P-0000   It is not worth to continue 263.782 Mbytes
>  0:-P-0000   Action : modify input variable to fit the available memory.
>  0:-P-0000   or increase limit on available memory.the available memory.
>  0:-P-0000
>  0:-P-0000  leave_new : decision taken to exit ...
>  0:-P-0000  leave_new : synchronization done...
> 0:-P-0000  leave_new : exiting...ation done...
> --------------------------------------------------------------------------ex
> cerpt from loadleverer
> file----------------------------------------------------------------
> #!/bin/csh
> #@ job_name         = si_mn
> #@ initialdir       = /u/jraynold/abinit/runs_4.1.3/si_mn/run1
> #@ output           = txt.result.$(CLUSTER)
> #@ error            = err.result.$(CLUSTER)
> #@ job_type         = parallel
> #@ notification     = complete
> #@ notify_user      = jraynold
> #@ node             = 1
> #@ node_usage       = not_shared
> #@ requirements     = (Memory > 270)
> #@ tasks_per_node   = 1
> #@ cpu_limit        = unlimited
> #@ environment      = MP_INFOLEVEL=2;MP_LABELIO=yes;MP_SHARED_MEMORY=yes;
> #@ account_no       = UNIVY-0361-U00
> #@ queue
>  
> 
> cd /u/jraynold/abinit/runs_4.1.3/si_mn/run1
> /u/jraynold/abinit/version_4.1.3/abinip < r1.files
> --------------------------------------------------------------------------ex
> cerpt from
> makefile_macros-------------------------------------------------------------
> ---
> # This version was used by A.R. Oganov for the IBM SP4 computer "Jupiter"
> # at Centro Svizzero di Calcolo Scientifico (Manno, Switzerland), parallel
> vers
> on
> # The performance of ABINIT on that machine is excellent.
>  
> ####################################################################
> # Note that the compiler are thos for the parallel code.
>  
> # Machine type
> MACHINE=ibm
> # Fortran optimized compilation
> FC=xlf90
> FFLAGS=-O3 -qnolm -qarch=auto -qstrict
> MAIN_ROUTINE_FFLAGS=-qcharlen=16000
> FFLAGS_LIBS=-O3 -qnolm -qarch=auto -qstrict -qfixed
> FLINK=-bloadmap:loadmap
> # C preprocessor, used to preprocess the fortran source.
> CPP=/lib/cpp
> CPP_FLAGS=-P
> # C optimized compilation.
> CC=mpcc
> CFLAGS=-O
> # Location of perl . Used to generate the script fldiff, in
> ~ABINIT/Utilities .
> PERL=/usr/bin/perl
> # Definition of libraries
> BLAS=
> LIBS= $(LAPACK) -lblas
>  
> ####################################################################
> # For the parallel version
>  
> # Location of the MPI library
> # Location of directory with header files *.h for parallel version
> _BASE=/usr/lpp/ppe.poe
> #INCLUDE_PAR=$(_BASE)/include
> INCLUDE_PAR=/u/jraynold/abinit/version_4.1.3/Machine_dept_files/IBM/include
> FFLAGS_PAR=$(FFLAGS) -I$(INCLUDE_PAR)
>  
> # This is a last line in makefile_macros ----------
>  
> ----------------------------------------------------------------------------
> -------end of
> e-mail-------------------------------------------------------------------
> 

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Matthieu Verstraete               mailto:verstraete@pcpm.ucl.ac.be 
PCPM, Boltzmann, pl. Croix du Sud, 1            tel: 010/ 47 33 59
B-1348 Louvain-la-Neuve  Belgium                fax: 010/ 47 34 52