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

[David Farrell]

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.)
>
>
>
>
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David E. Farrell
Post-Doctoral Fellow
Department of Materials Science and Engineering
Northwestern University
email: d-farrell2 at northwestern.edu

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