[CPMD-list] trying PGI-MPI on linux cluster

[Axel Kohlmeyer]

>>> "CR" == Carme Rovira <crovira at pcb.ub.es> writes:

CR> Hello,

CR> I still cannot get CPMD running using the LAMMPI libraries.

CR> Now I just compiled CPMD using MPICH but then when I
CR> use it, 

CR>    mpirun -machinefile $PBS_NODEFILE -np $NUM_CPU cpmd.x test.inp >
CR> test.out


CR> I get this error (independently of the number of processors)

CR> RAPARAPARAPARAPARAPARAPARAPARAPARAPARAPARAPARAPARAPARAPARAPARA
CR>  LOADPA| PROCESSOR    1 HAS NO G COMPONENT.


CR>  PROGRAM STOPS IN SUBROUTINE LOADPA| TOO MANY PROCESSORS [PROC=   0]
CR> p0_9431:  p4_error: : 999
CR> Broken pipe


CR> Does anybody know how to solve this problem?

hello again!

please supply more details, otherwise it is very difficult to help you
short of being able to read minds. there must be more error messages.

this still looks as if you cannot spawn the remote processes for 
the parallel run (which is the most common problem with lam and mpich).

so could you please answer (some of) the questions i send to you
in my last mail.

kind regards,
     axel kohlmeyer.


CR> Regards,

CR>   Carme Rovira


CR> -------------------------------------------------------------
CR> Carme Rovira i Virgili                  Tel: +34 93 4037112
CR> Centre de Recerca en Química Teòrica    Fax: +34 93 4037225
CR> Parc Científic de Barcelona             (http://www.pcb.ub.es)
CR> Josep Samitier 1-5 Annex A              E-mail: crovira at pcb.ub.es
CR> 08028 Barcelona, Spain   URL:http://www.qf.ub.es/personal/crovira
CR> --------------------------------------------------------------
CR> _______________________________________________
CR> CPMD-list mailing list
CR> CPMD-list at cpmd.org
CR> http://www.cpmd.org/mailman/listinfo/cpmd-list



--

=======================================================================
Axel Kohlmeyer       e-mail: axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum                   http://www.theochem.ruhr-uni-bochum.de
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.