[CPMD-list] MEMORY ALLOCATION ERROR

[Dr. Balasubramanian Sundaram]

Dear Giacomo,
    I have installed CPMD-3.9.1 successfully on such a system, with the
difference that I had used Intel MKL instead of Atlas library, and 
LAM instead of mpich. But these shouldn't matter for your issue, i
guess.
The code also ran fine. 

    The Memory Allocation Error usually is a sign of insufficient memory
(RAM) for the processes that you have started. As Axel had suggested to
me 
some time ago, try running the job with a reduced energy cutoff, for 
testing purposes; if it runs fine, then there are no compilation/runtime
issues. 

   Also, if you are performing a wavefunction optimisation run (the
first
runs that anyone does in CPMD), you may want to try out minimisation
methods that use lesser memory, but consume more CPU -- for instance 
conjugate gradient. 

Good Luck,
Bala


Giacomo Saielli wrote:
> 
> Dear developers and users,
> I have compiled CPMD-3.9.1 on a dual Xeon, 2GB RAM, running RH 9 Fedora
> Core 2, smp kernel,
> using ifc 8.0, for mpich-1.2.6 (this one also compiled with ifc).
> Here is the Makefile (using the atlas libatlas_p4.a library from Axel
> Kohlmayer web page).
> Compiling seems ok, but I have MEMORY ALLOCATION ERROR when I run cpmd
> with this simple input:
> 
> I would greaty appreciate any suggestion.
> Was anyone succesfull in installing cpmd on a similar system?
> Thank you very much for your help,
> best wishes,
> Giacomo
> 
> --
> Giacomo Saielli
> Istituto per la Tecnologia delle Membrane del CNR, Sezione di Padova;
> Via Marzolo, 1 - 35131 Padova, Italy;
> Tel: +39-049-8275279; Fax: -5239;
> http://www.chfi.unipd.it/home/g.saielli/
> 
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