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 -------------- next part -------------- A non-text attachment was scrubbed... Name: mm_dispersion.f90 Type: application/octet-stream Size: 20001 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20090929/50246bf3/attachment.obj -------------- next part -------------- --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
