[Pw_forum] OpenMPI problems with espresso 4.0cvs

[O. Baris Malcioglu]

Hi,

Have you checked whether your shared storage is working properly?

Regards,

O. Baris Malcioglu,

SISSA, Italy


On Fri, Apr 25, 2008 at 12:26 PM, Riccardo Sabatini <sabatini at sissa.it> wrote:
> Hello everyone,
>
>     i finally compiled espresso with MPI (thanks for the suggestion,
>  with gfortran worked perfectly). I had no problem in the compilation
>  but i can't make it run. I'm trying a super easy run: from the
>  exercise01 the si.scf.cg.in.
>
>     Now, if i run the file with the espresso 3.2 compiled without mpi
>  obviously runs perfectly but if i try the same file with the mpi
>  version it gives me this error (3 times)
>
>  ---------------------------------------------------------------------------------
>
>       Program PWSCF     v.4.0cvs starts ...
>       Today is 25Apr2008 at 12:11:35
>
>       Ultrasoft (Vanderbilt) Pseudopotentials and 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
>
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>       from  read_namelists  : error #         1
>        reading namelist control
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>       stopping ...
>  ---------------------------------------------------------------------------------
>
>      My launch command is (i'm running on a four cores processor now)
>
>       mpirun -np 4 ../QE-MPI/bin/pw.x < prova.in
>
>      Is there something i'm missing ? Maybe a line do add for parallel
>  compilation in the input file ? I've tried the only option in the
>  INPUT_PW about parallel compilation, wf_collect, but nothing changes.
>  Since the compilation gave me 0 errors maybe the problem is the
>  combination openMPI+gfotran+espresso-4.0.
>
>      Thanks for the help,
>
>                 Riccardo
>
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