<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div>Looks like a combination of not having the pseudo_dir set and the passing of the input data was the problem.</div><div><br></div><div>Thanks!</div><div><br></div><br><div><div>On Dec 24, 2008, at 12:30 PM, J. J. Ramsey wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>______________________________<br><br>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)<br><br>launched as follows: <br><br>Program PWSCF v.4.0.4 starts ...<br> Today is 24Dec2008 at 12: 7:44 <br><br> Parallel version (MPI)<br><br> Number of processors in use: 1<br><br> For Norm-Conserving or Ultrasoft (Vanderbilt) Pseudopotentials or PAW<br><br> Current dimensions of program pwscf are:<br> Max number of different atomic species (ntypx) = 10<br> Max number of k-points (npk) = 40000<br> Max angular momentum in pseudopotentials (lmaxx) = 3<br><br>(hangs here until killed)<br><br>Any ideas what could cause this? Maybe a missed option someplace? I don't get any useful information sent to stderr<br><br>-----------------------------<br><br>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.<br><br>(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.)<br><br><br><br><br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>http://www.democritos.it/mailman/listinfo/pw_forum<br></div></blockquote></div><br><div apple-content-edited="true"> <span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Helvetica" size="3" style="font: normal normal normal 12px/normal Helvetica; font-size: 12px; ">David E. Farrell</font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; ">Post-Doctoral Fellow</span></font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; ">Department of Materials Science and Engineering</span></font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Helvetica" size="3" style="font: normal normal normal 12px/normal Helvetica; font-size: 12px; ">Northwestern University</font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Helvetica" size="3" style="font: normal normal normal 12px/normal Helvetica; font-size: 12px; ">email: <a href="mailto:d-farrell2@northwestern.edu">d-farrell2@northwestern.edu</a></font></div></div></div></span> </div><br></body></html>