parallel distribution of data

Nichols A. Romero naro... at
Fri Feb 29 20:23:31 UTC 2008


We are working on a very large system size ~ 4000 atoms. It is finite system
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

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

  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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