parallel distribution of data
Nichols A. Romero
naro... at gmail.com
Fri Feb 29 20:25:53 UTC 2008
Oops.. I have to take the last thing back. The 4096 & 8192 H2O test cases
This is with the latest & greatest version of CP2K.
On Fri, Feb 29, 2008 at 3:23 PM, Nichols A. Romero <naro... at gmail.com>
> 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
> 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)
Nichols A. Romero, Ph.D.
DoD User Productivity Enhancement and Technology Transfer (PET) Group
High Performance Technologies, Inc.
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