[Pw_forum] Problem running NEB

Giovanni La Penna glapenna at iccom.cnr.it
Wed Oct 24 11:26:52 CEST 2012

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
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 La Penna - National research council (Cnr)
Institute for chemistry of organo-metallic compounds (Iccom)
via Madonna del Piano 10,
I-50019 Sesto Fiorentino, Firenze, Italy
tel.: +39 055 522-5264, fax: +39 055 522-5203
e-mail: glapenna at iccom.cnr.it - http://www.iccom.cnr.it/lapenna
skype: giovannilapenna

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