On Mar 29, 2011, at 9:49 , Gabriele Sclauzero wrote: > Are you referring to the wf_collect feature?
yes > I've not been using that, so I was supposing that each process > writes independently its piece of wavefunctions (at least for PWscf), > am I right? you are > Do you think that this might be a symptom of a GPFS problem or > misconfiguration? not sure > I've tried to used disk_io='low' in some relax calculations, this > might > be a good compromise. as long as you have sufficient memory to keep wavefunctions into RAM, this is the best solution > However the code writes the wavefunctions only once at the end of > the run. > Wouldn't it be more reasonable to write them at the end of each > ionic step?gh > (just a personal opinion...) it is not always possible to listen to all opinions...this behavior is easy to change, though: look for io_level in PW/electrons.f90 P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
