[Wien] siteconfig MPI_REMOTE
Gavin Abo
gsabo at crimson.ua.edu
Fri Aug 24 22:04:27 CEST 2012
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.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120824/e2ea08f4/attachment.htm>
More information about the Wien
mailing list