[Pw_forum] OpenMPI problems with espresso 4.0cvs

[Riccardo Sabatini]

Hi,

   made some trials but nothing still works :(( I specified the  
machine both with --host both with a machine file, nothing changes and  
i tried to run it on just one core

   mpirun -np 1 ../QE-MPI/pw.x < si.scf.cg.in

   In this case the program doesn't even start, printing this output

----------------------------------------------------------------------
      Program PWSCF     v.4.0cvs starts ...
      Today is 25Apr2008 at 14:37:21

      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
----------------------------------------------------------------------

   I'll write down all the compilation iformation i have, if anyone  
wonna try to see if it's a bug in the espresso 4 snapshot.

----------------from make.sys

DFLAGS         =  -D__GFORTRAN -D__FFTW -D__USE_INTERNAL_FFTW
FDFLAGS        = $(DFLAGS)

IFLAGS         = -I../include

MODFLAGS       = -I./  -I../Modules  -I../iotk/src \
                  -I../PW  -I../PH

MPIF90         = mpif90
#F90           = gfortran
CC             = cc
F77            = gfortran

CPP            = cpp
CPPFLAGS       = -P -traditional $(DFLAGS) $(IFLAGS)


CFLAGS         = -O3 $(DFLAGS) $(IFLAGS)
F90FLAGS       = $(FFLAGS) -x f95-cpp-input $(FDFLAGS) $(IFLAGS) $(MODFLAGS)
FFLAGS         = -O3
-----------------------------------------------------------------------------


I use the following compilers,

      GNU Fortran (GCC) 4.2.1 (Ubuntu 4.2.1-5ubuntu4)
      cc (GCC) 4.1.3 20070929 (prerelease) (Ubuntu 4.1.2-16ubuntu2)
      cpp (GCC) 4.1.3 20070929 (prerelease) (Ubuntu 4.1.2-16ubuntu2)

      OpenMPI 1.1-2.5 ubuntu1

Will see if someone can reproduce the problem, in any case thanks  
again for the help,

        Riccardo

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

> Hello again,
>
> Maybe you should try something like
>
> mpirun -np 4 --host localhost
>
> or a machine file explicitly stating you are working on the localhost,
>
> the reason why you are getting 3 errors but not 4 can be related to
> openmpi spawning jobs at other machines.
>
> You can try running the code you have compiled with mpi serially to
> see whether the compilation is broken or not.
>
> Hope this helps,
> Baris Malcioglu
> SISSA, Italy
>



----------------------------------------------------------------
   SISSA Webmail https://webmail.sissa.it/
   Powered by Horde http://www.horde.org/