[Pw_forum] OpenMPI problems with espresso 4.0cvs

[Riccardo Sabatini]

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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