[Wien] siteconfig MPI_REMOTE

Peter Blaha pblaha at theochem.tuwien.ac.at
Mon Aug 27 08:17:32 CEST 2012

Agreed. I'll work through it. Also hfpara does not have the "ssh/rsh"-setting in.

Am 24.08.2012 22:04, schrieb Gavin Abo:
> I'm confused about the parallel setup behavior of the Wien2k 12.1 siteconfig_lapw script.
> The message in siteconfig seems to indicate that if "y" is used for shared memory, then MPI_REMOTE = 0 (which can only be changed by editing the parallel_options file
> directly).  However, the script gives a prompt to input whether the user wants to use 0 or 1.  If the user presses enter without giving input, it outputs MPI_REMOTE = " ".
> On the other hand, MPI_REMOTE = "1 " is the output in parallel_options regardless if 0 or 1 is used as input along with some possibly unwanted quotation marks.
> The mpi-2 message suggests but does not imply that MPI_REMOTE = 0 is the default (when no input is given), but MPI_REMOTE = 1 is the default in the script.
> I believe the prompt to select MPI_REMOTE = 0 or 1 is useful when "n" is used for shared memory.  However, the script always sets MPI_REMOTE = 1. The relevant sections of
> code should be between lines 852-873. So the Wien2k developers may want to check if the script is performing as intended.
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at

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