[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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