[Pw_forum] OpenMPI problems with espresso 4.0cvs

[Axel Kohlmeyer]

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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If you make something idiot-proof, the universe creates a better idiot.