I've seen this sort of trend elsewhere, sysadmins expecting users to only run one mpi job rather than parallel ones, and this can lead to problems for Wien2k. Some possibilities:
1. Run everything as 1 mpi. This is less efficient, quicker for you. 2. Use rsh, or ask a sysadmin for an equivalent. 3. Set mpi_remote and/use_remote to 0. The different mpi will then be launched from one node but should execute according to your machines breakdown. 4. If desperate, and comfortable with shell programming, edit parallel options so it in fact runs a csh or sh on remote nodes. This is needed for some openmpi because it does not export some environmental variables. On Apr 1, 2011 7:06 AM, "David Tompsett" <dat36 at cam.ac.uk> wrote: -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110401/cd90a30c/attachment.htm>