[CPMD-list] Memory Requirement Problem

[Maurice de Koning]

Dear all,

I'm trying to run a TDDFT electronic spectra calculation using the parallel version (compiled with ifort 9 and mkl 8.0)  of CPMD on an 
SGI-Altix cluster with 12 Itanium2 CPU's and 24 Gb of memory. After the initial Lanczos diagonalization, which runs fine, I get
the following type of message for all CPU's:

**************************************************************************************
 CHEMICAL POTENTIAL =                             2.3082842040 EV
 ================================================================
 ==                END OF STATE INITIALIZATION                 ==
 ================================================================

 ***   SPECTRA| SIZE OF THE PROGRAM IS  406432/48887376 kBYTES ***
 ==                      SINGLET STATES                        ==
 NUMBER OF STATES TO BE INITIALIZED                             5
 TOTAL NUMBER OF TEST VECTORS                                  10
  MEMORY| MEMORY REQUIRED:   303161702  WORDS


 PROGRAM STOPS IN SUBROUTINE MEMORY| TOO BIG VALUE [PROC=   3]
MPI: On host topazio, Program /home/esmeralda/dekoning/dekoning/cpmd/CPMD-3.11.1/cpmd.x, Rank 3, Process 10585 called MPI_Abort(<communicator>, 999)

MPI: --------stack traceback-------
 ****************************************************************************************

Evidently, this is a memory problem. Is there any way I can work around this?

Thanks,

Maurice