[Pw_forum] run PWscf on national grid service in UK

[Pieremanuele Canepa]

Dear All,
I am writing to you since  I'm attempting to run PWscf jobs on the NGS
(national grid service http://www.grid-support.ac.uk/) provide here in UK
without any good result. Under the help of  one person in charge of the ngs
I was able to compile PWscf (release 4.0.5) on it. This grid use particular
and non free mpi called Platform-mpi (
http://www.scali.com/Products/platform-mpi). Then,  I compiled espresso
using Intel FORTRAN and C compiler and these mpi libraries.
Now when I try to run a job on the grid, what  I get out is reported as
below:

 Program PWSCF     v.4.0.5  starts ...
     Today is 14May2009 at  9:23: 5

     Parallel version (MPI)

     Number of processors in use:       8
     R & G space division:  proc/pool =    8

     For Norm-Conserving or Ultrasoft (Vanderbilt) Pseudopotentials or 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 #        17
      reading namelist control
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from  read_namelists  : error #        17
     from  read_namelists  : error #        17
      reading namelist control
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

TID   HOST_NAME   COMMAND_LINE            STATUS            TERMINATION_TIME
===== ========== ================  =======================
===================
00000 cn54.ngs.r /home/ngs0802/bi  Exit (2)                 05/14/2009
09:23:05
00001 cn54.ngs.r /home/ngs0802/bi  Exit (2)                 05/14/2009
09:23:06
00002 cn54.ngs.r /home/ngs0802/bi  Exit (2)                 05/14/2009
09:23:05
00003 cn54.ngs.r /home/ngs0802/bi  Exit (2)                 05/14/2009
09:23:05
00004 cn54.ngs.r /home/ngs0802/bi  Exit (2)                 05/14/2009
09:23:05
00005 cn54.ngs.r /home/ngs0802/bi  Exit (2)                 05/14/2009
09:23:05
00006 cn54.ngs.r /home/ngs0802/bi  Exit (2)                 05/14/2009
09:23:05
00007 cn54.ngs.r /home/ngs0802/bi  Exit (2)                 05/14/2009
09:23:05

Initially, I thought  it was related to my input and I tried to run it on my
normal cluster PC, that use OpenMPI, and it seems to work as normally it
should be. What I am suppose to do? Do you have any suggestion? Anyone do
you know how to manage it ?

Best Regards, Piero
-- 
Pieremanuele Canepa
Room 230
School of Physical Sciences, Ingram Building,
University of Kent, Canterbury, Kent,
CT2 7NH
United Kingdom
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