[Pw_forum] Problem in execution of pw.x (qe-4.0.2)

[Sangamesh B]

Hello all,

      The Quantum-Espresso - 4.0.2 is installed with pathscale-3.0
compiler, ACML-4.1.0 and fftw-3.1.2 libraries on a 16 node Rocks-4.2
cluster (Cent OS 4.3).

     When pw.x is run, the following error appearied immediately after
the job submission.

$   mpiexec -machinefile ./host -np 8 /opt/apps/espresso-4.0.2_acml/bin/pw.x

-in input1.in

     Program PWSCF     v.4.0.2  starts ...
     Today is  4Nov2008 at 16:59:40

     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 IOTK LIBRARY, VERSION 1.1.0development
# UNRECOVERABLE ERROR (ierr=-1)
# ERROR IN: iotk_scan_begin (iotk_scan.spp:155)
# CVS Revision: 1.7
# Tag not found
namel=HEADER
#############################################################################

###########################################
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0[cli_0]: aborting

job:
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
rank 0 in job 3  masternode_32841   caused collective abort of all

ranks
  exit status of rank 0: killed by signal 9


 I've tried to run this job with different number of processes. In
each run same error has appeared.

  But the same input file works well with QE-3.1.1.

Will it be possible to know why its not working with QE-4.0.2?

Thanks,
Sangamesh
Consultant - HPC
Locuz Enterprise Solutions
Bangalore, India