It does not work, unfortunately. -------------------------------------------- Dr. Natalia Pavlenko Institute for Condensed Matter Physics, Lviv, Ukraine
Tel.: +38-0322-707401 Fax: +38-0322-761158 --- On Fri, 10/7/11, GAO Zhe <flux_ray12 at 163.com> wrote: From: GAO Zhe <[email protected]> Subject: Re: [Pw_forum] problems with pp.x for parallel processing To: "PWSCF Forum" <pw_forum at pwscf.org> Date: Friday, October 7, 2011, 12:23 PM In my opinion, the easiest way to solve this problem is to add wf_collect=.t. in nscf calculation "input" file, then use pp.x <input >output without parallelism. -- GAO Zhe CMC Lab, MSE, SNU, Seoul, S.Korea At?2011-10-08?02:09:04,"Natalia?Pavlenko"?<natalia at npavlenko.com>?wrote: >I?tried?two?different?possibilities:?first,?I?used?the?same?number?of?pools?("-npool?2")?in?nscf?and?in?pp.x.?In?this?case?I?received?the?message: >------------- >from?local_dos?:?error?#?????????1 >?????problems?with?xk_pool >------------------ >Second,?I?tried?to?run?pp.x?without?setting?the?option?npool >(just?pp.x?<?case_rho.in?>?case_rho.out),?in?this?case?I?get?the?following?message?after?the?crash: >------------------ >from?postproc?:?error?#?????????1 >pw.x?run?with?a?different?number?of?pools.?Use?wf_collect=.true. >------------------- > >Best?regards,?N.?Pavlenko >Dr.?Natalia?Pavlenko >Institute?for?Condensed?Matter?Physics, >Lviv,?Ukraine > >Tel.:?+38-0322-707401 >Fax:?+38-0322-761158 > > > >---?On?Fri,?10/7/11,?Paolo?Giannozzi?<giannozz at democritos.it>?wrote: > >>?From:?Paolo?Giannozzi?<giannozz at democritos.it> >>?Subject:?Re:?[Pw_forum]?problems?with?pp.x?for?parallel?processing >>?To:?"PWSCF?Forum"?<pw_forum at pwscf.org> >>?Date:?Friday,?October?7,?2011,?10:40?AM >>? >>?On?Oct?7,?2011,?at?18:19?,?Natalia?Pavlenko?wrote: >>? >>?>?I?am?trying?to?calculate?charge?density?plots?using >>?pp.x?for?8?? >>?>?parallel >>?>?processors.?The?scf?and?nscf?calculations?are >>?successfully?finished. >>?>?With?pp.x,?I?receive?the?following?warning?after?the >>?CRASH: >>? >>?you?didn't?try?to?run?on?a?diferent?number?of?pools?from >>?the?one >>?used?in?the?nscf?calculation? >>? >>?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 >>? >>? >>? >>? >>?_______________________________________________ >>?Pw_forum?mailing?list >>?Pw_forum at pwscf.org >>?http://www.democritos.it/mailman/listinfo/pw_forum >>? >_______________________________________________ >Pw_forum?mailing?list >Pw_forum at pwscf.org >http://www.democritos.it/mailman/listinfo/pw_forum -----Inline Attachment Follows----- _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111007/96f061c7/attachment.htm
