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>