[CPMD-list] MEMORY ALLOCATION

[Veronique Van Speybroeck]

Dear cpmd users,

I have a problem allocating memory.  The input file of the job is given 
below and is run on a IBM dual processor machine with two Xeon 
processors, which has 4 GB RAM memory.  I get the following output message :
 ***    WFOPTS| THE NEW SIZE OF THE PROGRAM IS  137968 kBYTES ***
 ***     PHFAC| THE NEW SIZE OF THE PROGRAM IS  138160 kBYTES ***

 ****************************************************************
 PROCESSOR     0 ALLOCATION OF      395928 WORDS OF MEMORY FAILED
 ****************************************************************

 ***    MEMORY| THE NEW SIZE OF THE PROGRAM IS  184032 kBYTES ***

 ================================================================
                      BIG MEMORY ALLOCATIONS
 PME             55100060                GDE             13775015
 C0              11020004                C2              11020004
 SCR              7018210                YLMB             6600250
 EIGR             5740956                QRL              5421600
 QRAD             3589920                TWNL             3563352
 ----------------------------------------------------------------
 [PEAK NUMBER  108]      PEAK MEMORY    135398590 = 1083.2 MBytes
 ================================================================


 PROGRAM STOPS IN SUBROUTINE MEMORY| ALLOCATION FAILED (CX) [PROC=   0]

I tested both with the parallel and unparallel version of the CPMD code.  
How can I solve this problem?
Has it something to do with compilation flags?

Thanks in advance

veronique


inputfile :
&CPMD
 OPTIMIZE WAVEFUNCTION
 TIMESTEP
  20
 PRINT
  10
 ISOLATED MOLECULE
 STRUCTURE BONDS ANGLES
&END

&SYSTEM
 ANGSTROM
 CHARGE
 +1
 SYMMETRY
 1
 CELL
 21.0 1.0 1.0 0.0 0.0 0.0
 CUTOFF
 25.
&END

&ATOMS
*045-Rh-gpw-n-campos.uspp BINARY NEWF
 LMAX=D
 1
 -0.377245    -0.101850     0.178396
*015-P-ca--vgrp.uspp BINARY NEWF
 MAX=P
 4
-0.377245    -0.101850     2.474729
0.620693     1.744877    -0.468820
0.641089    -2.029866    -0.507751
-2.513948    -0.169410    -0.625693
*007-N-ca--bm.uspp BINARY NEWF
 LMAX=P
 4
1.014140     2.235974    -2.153407
0.383196    -3.566781     0.408488
....





-- 
-----------------------------------------------------------------------
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
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