[Pw_forum] OpenMPI problems with espresso 4.0cvs

[Riccardo Sabatini]

Hi,

   right now i'm working on my local machine, just one pc with one  
4-core processor and one hard drive, later on i'll try a little  
network cluster.

   I keep on trying, we'll see if i can get out (starting to think  
about a bug somewhere).

    Thanks for the help,

        Riccardo

Quoting "O. Baris Malcioglu" <baris.malcioglu at gmail.com>:

> 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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