Looks like a combination of not having the pseudo_dir set and the passing of the input data was the problem.
Thanks! On Dec 24, 2008, at 12:30 PM, J. J. Ramsey wrote: > ______________________________ > > So I was able to get pw and cp to compile on the BG/P, but when I > try and test out pw using the scf.in test, the code hangs at the > following (regardless of number of procs, time, etc) > > launched as follows: > > Program PWSCF v.4.0.4 starts ... > Today is 24Dec2008 at 12: 7:44 > > Parallel version (MPI) > > Number of processors in use: 1 > > For Norm-Conserving or Ultrasoft (Vanderbilt) Pseudopotentials > or PAW > > Current dimensions of program pwscf are: > Max number of different atomic species (ntypx) = 10 > Max number of k-points (npk) = 40000 > Max angular momentum in pseudopotentials (lmaxx) = 3 > > (hangs here until killed) > > Any ideas what could cause this? Maybe a missed option someplace? I > don't get any useful information sent to stderr > > ----------------------------- > > My guess is that something goofy happened with input redirection. If > you haven't done it already, try running the test as "mpirun-or- > exec ./pw.x -in scf.in > scf.out", and see what you get. > > (BTW, I've noticed that on a cluster that I've used, running the > "check-pw.x.j" within a batch job works fine even though input > redirection in the script uses the "<" operator, but when running > mpirun.lsf directly from the batch script, I need the "-in" option. > Go figure.) > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum David E. Farrell Post-Doctoral Fellow Department of Materials Science and Engineering Northwestern University email: d-farrell2 at northwestern.edu -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20081224/7a72acd8/attachment-0001.htm
