Thank you, Andrea. Best regards, Jiayi
On Mon, Nov 25, 2013 at 8:06 AM, Andrea Dal Corso <dalcorso at sissa.it> wrote: > > On Sat, 2013-11-23 at 09:52 -0600, Jiayi Yan wrote: > > Dear all, > > > > > > I was running ph.x with 6x6x6 q grids for bcc metal. There are 29 q > > points to calculate. After running mpirun -np 24 ph.x -nimage 4 -npool > > 2 ..., I got all .dyn files, but the .dyn8 is empty. I guess by > > dividing 29 q points to 4 images some are missed/double-counted? > > > > Dynamical matrices split among different images are not saved in the > running directory, but are saved separately in the outdir/prefix.phsave > directory. Running ph.x with recover=.true. and without images after a > run with the images, allows to collect the information already saved on > disk and should be very fast. > There is a detailed example in PHonon/examples/Image_example. > > > HTH, > > Andrea > > > > > > There was a hint in the developer's manual for ph.x saying "...So you > > need to collect the results running \phx\ another time without > > images". Does it mean I have to start over without images, or there's > > a way to get .dyn8 easily? > > > > > > Thank you in advance. > > > > > > Sincerely, > > Jiayi Yan > > > > > > -- > > Jiayi Yan > > > > Graduate student, Dept. of Materials Science & Engineering > > Northwestern University > > 2220 Campus Dr, Cook Hall 2032 > > Evanston, Illinois 60208-3108, U.S.A > > Office: Cook Hall 2021 > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://pwscf.org/mailman/listinfo/pw_forum > -- > Andrea Dal Corso Tel. 0039-040-3787428 > SISSA, Via Bonomea 265 Fax. 0039-040-3787249 > I-34136 Trieste (Italy) e-mail: dalcorso at sissa.it > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- *Jiayi Yan * *Graduate student, Dept. of Materials Science & Engineering* *Northwestern University* *2220 Campus Dr, Cook Hall 2032* *Evanston, Illinois 60208-3108, U.S.A* *Office: Cook Hall 2021* -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131125/60a9ecae/attachment.html
