[Pw_forum] compiled pw, cp on a BG/P - scf.in test hangs

David Farrell davidfarrell2008 at u.northwestern.edu
Wed Dec 24 19:16:29 CET 2008


Hi All,

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.

Thanks and happy holidays,

Dave



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://lists.quantum-espresso.org/pipermail/users/attachments/20081224/69a6e57a/attachment.html>


More information about the users mailing list