[Pw_forum] bug in mm_dispersion.f90

[Paolo Giannozzi]

On Sep 29, 2009, at 17:12 , Javier Fuhr wrote:

> The parallelization is done to all processes (nproc), and
> if I understand correctly the sum should be performed
> over all processes. Looking better at the different
> parallelizations, I think the correct way is to replace,
> in mm_dispersion.f90, intra_pool_comm by world_comm

I think you are (almost) right. "image" parallelization, useful
for NEB calculations, implies different atomic positions on
different groups of processors. So the correct communicator
is "intra_image_comm", containing nproc_image processors.
Attached the (hopefully) correct Modules/mm_dispersion.f90.
Thank you for reporting this bug and its (quasi-)fix

Paolo
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222