Dear Paolo, In attachment I am sending 3 job scripts for a simple SrTiO3 layered structure which can be calculated pretty fast: (1)scf, (2)nscf and (3) pp.x for evaluation of charge density contours. The scf and nscf calculations are performed without any problem, but pp.x is crashed with the same warning:
from local_dos : error # 1 problems with xk_pool I would be grateful for your assistance. With best regards, Natalia ----------------------------------------- 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, 1:32 PM > > On Oct 7, 2011, at 22:29 , Natalia Pavlenko wrote: > > > It does not work, unfortunately. > > please provide an example that can be run in a reasonable > amount of time > > 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 > -------------- next part -------------- A non-text attachment was scrubbed... Name: 0job Type: application/octet-stream Size: 3353 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20111008/0f7330ed/attachment.obj -------------- next part -------------- A non-text attachment was scrubbed... Name: 0job_nscf Type: application/octet-stream Size: 3407 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20111008/0f7330ed/attachment-0001.obj -------------- next part -------------- A non-text attachment was scrubbed... Name: 0job_rho Type: application/octet-stream Size: 2500 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20111008/0f7330ed/attachment-0002.obj
