parallel distribution of data

Nichols A. Romero naro... at gmail.com
Fri Feb 29 21:23:31 CET 2008


Hi,

We are working on a very large system size ~ 4000 atoms. It is finite system
and
there is about 20 Bohr of vacuum on all sides. (Probably overkill).

I think the error that I am receiving has to do with the parallel
distribution of
the data. Would the distribution algorithm fail if there is too much vacuum
perhaps?

Here is the error message. BTW, we seem to be able to run the 4096 & 8196
test
cases.


  Extrapolation method: initial_guess

 *
 *** ERROR in pack_matrix almost there  ***
 *

 *** Matrix block not found  ***



-- 
Nichols A. Romero, Ph.D.
DoD User Productivity Enhancement and Technology Transfer (PET) Group
High Performance Technologies, Inc.
Reston, VA
443-567-8328 (C)
410-278-2692 (O)
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