[Pw_forum] OpenMPI problems with espresso 4.0cvs

[Riccardo Sabatini]

Hi again,

   i wrote "3 times" meaning that even if i launch mpirun with 4  
processors the error comes out just three times, maybe mpirun launches  
only three instances of the program,sorry for the misunderstanding. I  
tried to launch with the direct location to the file instead the std  
input redirection but nothing still works (i don't usually launch pw  
interactively, was just the pasted snippet to let the mailing list  
understand me).

   I haven't tried anyway the -in flag, seems the openmpi i have  
doesn't understand that flag but i'll look in the help manual to see  
if there's something similar, maybe the problem is there. I'll let you  
know as soon as i try.

   Thanks for the help, regards

     Riccardo

Quoting Axel Kohlmeyer <akohlmey at cmm.chem.upenn.edu>:

> On Fri, 25 Apr 2008, Riccardo Sabatini wrote:
>
> RS> Hello everyone,
>
> hi riccardo,
>
> RS>
> RS>     i finally compiled espresso with MPI (thanks for the suggestion,
> RS> with gfortran worked perfectly). I had no problem in the compilation
> RS> but i can't make it run. I'm trying a super easy run: from the
> RS> exercise01 the si.scf.cg.in.
> RS>
> RS>     Now, if i run the file with the espresso 3.2 compiled without mpi
> RS> obviously runs perfectly but if i try the same file with the mpi
> RS> version it gives me this error (3 times)
>
> doing the same thing 3 times doesn't make it more likely to work...
>
> RS>       stopping ...
> RS>   
> ---------------------------------------------------------------------------------
> RS>
> RS>      My launch command is (i'm running on a four cores processor now)
> RS>
> RS>       mpirun -np 4 ../QE-MPI/bin/pw.x < prova.in
>
> have you tried the -in flag? not all MPI implementations
> replicate the input across all nodes and i personally
> think it is in general a bad idea to read an input from
> stdin. we don't run anything interactively these days
> anyways and being able to check file status etc. is
> a bit advantage.
>
> cheers,
>     axel.
>
> RS>      Is there something i'm missing ? Maybe a line do add for parallel
> RS> compilation in the input file ? I've tried the only option in the
> RS> INPUT_PW about parallel compilation, wf_collect, but nothing changes.
> RS> Since the compilation gave me 0 errors maybe the problem is the
> RS> combination openMPI+gfotran+espresso-4.0.
> RS>
> RS>      Thanks for the help,
> RS>
> RS>                 Riccardo
> RS>
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> =======================================================================
> Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
>    Center for Molecular Modeling   --   University of Pennsylvania
> Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
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