[Pw_forum] execution error

[Axel Kohlmeyer]

On Thu, 12 Jan 2006, Aritz Leonardo wrote:

artiz,

your input works fine for me, both on a linux machine
and on an (older) mac. so there indeed seems to be a

AL> 20 20 1   1 1 0
AL> EOF
AL> $ECHO "  running the scf calculation...\c"
AL> mpirun C -np $NPROCS /scratch/aritz/pw_root/bin/pw.x < $a.scf.in >>
AL> $a.scf.out

please note that using 'C' and '-np $NPROCS' is redundant.
with LAM/MPI (which you seem to be using) plain 'C' is
sufficient and the preferred way as it will tell mpirun
to start just one MPI-thread per allocated processor.

however, i still will work as you were using it, with
the '-np' taking precedence over 'C'.

one thing you may want to check is the carriage-return/
linefeed conventions used on the file. on some machines,
the (fortran) parser for the input file will choke on 
text files that have additional carriage-return characters
in them (sometimes visible as ^M or control-M) as they
are needed for dos/windows but not for unix-like machines.
so if you created the script on a different machine, or
converted it somehow to dos/windows text. that may be
another explanation.

regards,
    axel.


AL> $ECHO " done"
AL> 
AL> 
AL> 
AL> _______________________________________________
AL> Pw_forum mailing list
AL> Pw_forum at pwscf.org
AL> http://www.democritos.it/mailman/listinfo/pw_forum
AL> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.