Dear Paolo, 2009/9/29 Paolo Giannozzi <giannozz at democritos.it>
> > 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 > i'm not expert in parallelization, but it seems to me that the processor index "mpime" should be replaced by "me_image" if we use the "intra_image_comm" communicator. Is it correct? daniel -- ---------------------------------- Daniel Forrer Dipartimento di Scienze Chimiche Universit? degli Studi di Padova V. Marzolo 1, Padova ---------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20091001/09f1f0c8/attachment.htm
