[CPMD-list] MEMORY ALLOCATION

[Veronique Van Speybroeck]

Hi I now recompiled the program with the 64 bit compiler.  The program
gets somewhat further but still crashes.  The last lines I get are :

 ***  RINFORCE| THE NEW SIZE OF THE PROGRAM IS  520503 kBYTES ***
 ***    FFTPRP| THE NEW SIZE OF THE PROGRAM IS  750567 kBYTES ***

 GENERATE ATOMIC BASIS SET
      P        SLATER ORBITALS
        3S        ALPHA=   1.8806      OCCUPATION= 2.00
        3P        ALPHA=   1.6288      OCCUPATION= 3.00
      N        SLATER ORBITALS
        2S        ALPHA=   1.9237      OCCUPATION= 2.00
        2P        ALPHA=   1.9170      OCCUPATION= 3.00
      O        SLATER ORBITALS
        2S        ALPHA=   2.2458      OCCUPATION= 2.00
        2P        ALPHA=   2.2266      OCCUPATION= 4.00
      C        SLATER ORBITALS
        2S        ALPHA=   1.6083      OCCUPATION= 2.00
        2P        ALPHA=   1.5679      OCCUPATION= 2.00
      H        SLATER ORBITALS
        1S        ALPHA=   1.0000      OCCUPATION= 1.00

Bus error (core dumped)

Thanks for all your help

Veronique
-----------------------------------------------------------------------
Dr. ir. Van Speybroeck Veronique
Laboratorium voor Theoretische Fysica
Universiteit Gent
Proeftuinstraat 86
9000 Gent
Tel +32-9-264.65.58  GSM : +32/474/259767
Fax +32-9-264.65.60
email : veronique.vanspeybroeck at rug.ac.be
http://inwfaxp2.rug.ac.be/~web/onderzoek/proj_3.html
-----------------------------------------------------------------------

On Wed, 11 Sep 2002 Ari.P.Seitsonen at iki.fi wrote:

>
> Hi Veronique,
>
> > I have a problem running a job that requires a large amount of memory.
> > I get something like this :
> >  ***    MEMORY| THE NEW SIZE OF THE PROGRAM IS 1876066 kBYTES ***
> >
> >  ================================================================
> >                       BIG MEMORY ALLOCATIONS
> >  PME            100521120                C2              20104216
> >  C0              20104216                YLMB            15729183
> >  YF              14378114                XF              14378114
> >  TWNL             8740960                RHOPS            8738435
> >  VPS              8738435                QRAD             6650100
> >  ----------------------------------------------------------------
> >  [PEAK NUMBER   88]      PEAK MEMORY    230758164 = 1846.1 MBytes
> >  ================================================================
> >
> >
> >  PROGRAM STOPS IN SUBROUTINE MEMORY| ALLOCATION FAILED (GDE)
> >
> > Although my machine has 4GB RAM memory.  How can I solve this problem?
>
> Which machine is it? Have you got a 64-bit compiler and operating
> system? Are some of the personal settings too small (e.g. 'ulimit -a')?
>
>     Greetings,
>
>        apsi
>
> --
> -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
>  Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
>  Tel +41 1 635 44 97 / Fax +41 1 635 68 38 / GSM +41 79 719 09 35
>  Anschrift: Physikalisch Chemisches Institut (PCI), Universität Zürich (UniZh)
>  Indirizzo: Winterthurerstraße 190, CH-8057 Zürich
>  Address:   Schweiz / Svizzera / Suisse / Svizra / Switzerland
>