[Pw_forum] problem in parallel running
dev sharma
decboy9 at gmail.com
Mon Aug 24 10:20:23 CEST 2009
Hi 2 all,
I have installed QE 4.0.2 on cluster with openMPI but when i am running my
jobscript with the command
mpirun -np 4 /home/devsharma/espresso-4.0.2/bin/pw.x -in yvo.inp> scf.out
i am getting an error massage in the terminal
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 0.
NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun has exited due to process rank 2 with PID 7437 on
node headnode.du.ac.in exiting without calling "finalize". This may
have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
--------------------------------------------------------------------------
[headnode.du.ac.in:07434] 3 more processes have sent help message
help-mpi-api.txt / mpi-abort
[headnode.du.ac.in:07434] Set MCA parameter "orte_base_help_aggregate" to 0
to see all help / error messages
[1]+ Exit 1 sh submit.sh
==========================================================
and also the scf Output is
Program PWSCF v.4.0.2 starts ...
Today is 24Aug2009 at 13:37: 5
Parallel version (MPI)
Number of processors in use: 4
R & G space division: proc/pool = 4
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
Warning: card &IONS ignored
Warning: card / ignored
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from readpp : error # 29
file /home/devshama/pseudo/Y.pbe-nsp-van.UPF not found
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from readpp : error # 29
file /home/devshama/pseudo/Y.pbe-nsp-van.UPF not found
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from readpp : error # 29
file /home/devshama/pseudo/Y.pbe-nsp-van.UPF not found
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
Please help me, as i am not very much expert in Linux. what does this error
means?? Please guide,
Thanks in Advance,
With regards,
Dev Sharma,
University of Delhi,
India
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