[Octopus-devel] Re: [Octopus-users] gs in parallel
appel at physik.fu-berlin.de
Thu Dec 22 15:31:59 WET 2005
On Thu, Dec 22, 2005 at 02:16:44PM +0000, Micael Oliveira wrote:
> Hi all!
> I don't think it is a good idea to have new flavors of the octopus
> executable. We already have enough problems with the existing ones!
but the different executables are there, even at the moment. Defacto
they already have been introduced. We just have not given them a name.
Whenever you introduce new libraries you create new combinations for
the compilation of the code ...
> What I suggest is to print a warning message to the output if one
> tries to run a ground-state calculation using the mpi executable
> compiled without METIS.
That would be useful in any case, I agree.
Heiko Appel | Tel +49 (0)30 838 53038
Freie Universität Berlin | Fax +49 (0)30 838 55258
Institut für Theoretische Physik
Arnimallee 14, D-14195 Berlin, Germany
PGP-Fingerprint: 802F 864F ED41 63EA 6A14 8E53 ABB6 A33F 20DA DF94
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