[Wien] Large memory consumption of MPI k-point parallel version

[Robert Laskowski]

hi,
you should have about 2GB per process. Are you sure you are not running modified sources,
or you run only one job per node. MPI runs are sometimes not cleaned after crash, they stay and occupy memory.


Your structure looks like surface, so why do you use 2 k-point in c direction.


regards

On Wednesday 09 April 2008 22:09:19 Oleg Rubel wrote:
> Dear Robert,
> 
> would you please find enclosed the dat-file generated by
> 
>     grep allocate *.output1* > allocate.dat
> 
> I also have placed all necessary files (14.5 MB) to run SCF cycle at
> 
>     http://www.staff.uni-marburg.de/~rubel/WIEN_TMP/GaAsBeta2_2x4.tar.gz
> 
> Do not be surprised that some files are modifies after initialization in 
> order to handle pseudohydrogen as described in
> 
>     http://zeus.theochem.tuwien.ac.at/pipermail/wien/2008-February/010465.html
> 
> 
> Thank you very much in advance.
> 
> 
> Best regards
> 
> Oleg
> 
> 
> On Tue, 8 Apr 2008, Robert Laskowski wrote:
> > could you:   grep allocate  *.output1_1*
> > or send struct and in1.
> >
> > regards
> >
> > Robert
> >
> > It should tell you what was allocated



-- 
Dr Robert Laskowski

Vienna University of Technology, 
Institute of Materials Chemistry, 
Getreidemarkt 9/165-TC, A-1060 Vienna

tel. +43 1 58801 15686
Fax  +43 1 58801 15698