The ABINIT Users Mailing List ( CLOSED )

[matthieu verstraete <matthieu.jean.verstraete@gmail.com>]

Hello Martin,

yes, your input and information on the platform, compiler etc... would
be welcome. This sounds like a memory leak, if the estimation for
memory is indeed correct, and it would be interesting to find and
correct it if this is the case.

Matthieu

On Mon, Jul 6, 2009 at 1:43 PM, <martin-callsen@gmx.de> wrote:
> Hello,
>
> when i do parallel calculations using abinip-5.8.3 and set the appropriate
> inputvariables as described in the help-files ( i.e. paral_kgb = 1, nloalg =
> 14, wfoptalg = 14, fftalg = 401 and fft_opt_lob =2) the memory needed for 
> the
> job grows slow but continuous until the job aborts. For example a job 
> needing
> about 200 MB in the sequential case gets out of memory on a 4GB machine 
> after
> 13h of calculation time.
>
> I have compiled abinit on an opteron system using gfortran and mpich2.
>
> Did anyone else have a similar problem before? My search on the forum would
> answer this question with no.
>
> I can send the hole input-file on request (maybe i am doing something 
> generally
> wrong), but i did not want this post to get too long.
>
> Thank you for your help,
> Martin Callsen
>



-- 
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Dr. Matthieu Verstraete

European Theoretical Spectroscopy Facility (ETSF)
Dpto. Fisica de Materiales,
U. del Pais Vasco,
Centro Joxe Mari Korta, Av. de Tolosa, 72,   Phone: +34-943018393
E-20018 Donostia-San Sebastian, Spain        Fax  : +34-943018390

Mail : matthieu.jean.verstraete@gmail.com
http://www-users.york.ac.uk/~mjv500