[Pw_forum] Problem running NEB

[Giovanni La Penna]

Dear all,

  I am trying to run example17, a simple NEB calculation.
The command line is:

mpirun -np 20 $QE_HOME/bin/neb.x -nimage 10 -input neb.in

where neb.in is whatever piece in the
$QE_HOME/examples/example17/run_example
script. The result is:

forrtl: severe (151): allocatable array is already allocated
(one for each parallel task, different flavours for different
Intel compilers).

This happens for many combinations of number of tasks and
images. Also with no nimage.

QE version: SVN download (03/10/2012)
Architecture: Intel-clusters, many different types
Compiler: different intel versions (9.1-12.0)

Thank you for any indications,

            Giovanni

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Giovanni La Penna - National research council (Cnr)
Institute for chemistry of organo-metallic compounds (Iccom)
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