[Pw_forum] post-processing problems

Massimiliano Bonomi massimiliano.bonomi at mi.infn.it
Mon Feb 14 15:13:47 CET 2005


Dear users,
I'm trying to make a 3d charge plot of a gold cluster made of 8 atoms 
using espresso 2.1.2 on a linux cluster with pgi compiler.
The program pp.x stops with this error:

    Program POST-PROC v.2.1.2  starts ...
     Today is 14Feb2005 at 14:54:10
 
     Parallel version (MPI)
 
     Number of processors in use:      30
     R & G space division:  nprocp =   30
 
     Reading file out.save ...
     read complete
 
     Reading file out.save ...
     read complete
 
     Planes per process (thick) : nr3 =288 npp =  10 ncplane =82944
 
     Planes per process (smooth): nr3s=216 npps=   8 ncplanes=46656
 
 Proc/  planes cols    G   planes cols    G    columns  G
 Pool       (dense grid)      (smooth grid)   (wavefct grid)
  1     10   2123 402807    8   1188 168800  307  22139
......................
 29      9   2123 402805    7   1188 168796  307  22135
 30      9   2123 402805    7   1188 168788  306  22134
  0    288  63697*******  216  356535063625 9209 664101
 
 
     nbndx  =    53  nbnd   =    53  natomwfc =    72  npwx   =   21112
     nelec  =   88.00 nkb   =   144  ngl    =   16610
*** error in Message Passing (mp) module ***
*** error code:  8912

Any idea of the problem??
Can it be due to the big wavefunctions (15 Giga!)??

Thanks for your help...

-- 
Massimiliano Bonomi
Dipartimento di Fisica, Università degli Studi di Milano 
via Celoria, 16 - 20133 Milano, Italy
Ph. +39 02 50317 717





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