[CPMD-list] test calculation problems...

[Walter Penits]

try a single run with one node (see below)

> Sorry, I´m a very beginner.
me too
> In addition I´ve added the test-input file (nacl.in) and my output
> (nacl.out), maybe there is a point....

looks like they are from the sullivan website ?
http://homepage.mac.com/mbsullivan/prog/cpmdtut.html

but there is a curious(?) remark on this site:

"Note: Things seem a bit flakey on the regatta. It should work with 1 processor otherwise it will give this error message: 

PROGRAM STOPS IN SUBROUTINE BUILDSHELL| BAD NUMBER OF ROTATIONS [PROC=   0] "

For our simple linux cluster it´s the same (single okay, parallel no). 
Maybe the input file is the point.


walter

------------------------------------------------------------ 
Walter Penits 
IT-Management Computational Physics Group 
Informatik Lehre 
Institute for Experimental Physics 
University of Vienna 
Walter.Penits at univie.ac.at 
"to many chieftains, not enough indians"