Dear N. Pavlenko: When you executed projwfc.x, did you use the same paralleling cpus? Because projwfc.x should be executed using the same cpus as pw.x. Best Wishes! Yours Sincerely L. F. Huang
> Date: Sun, 9 Jan 2011 06:43:36 -0800 (PST) > From: Natalia Pavlenko > Subject: [Pw_forum] Problems with generation of projected DOS by > projwfc.x > To: pw_forum at pwscf.org > Message-ID: > Content-Type: text/plain; charset=us-ascii > > > Dear Users, > > I experience problems when trying to generate projected DOS using > the program projwfc.x > My input file is the following: > ------------------------------ > &INPUTPP > prefix = 'pwscf' > outdir = '/home/npavlenko/work/lao_sto/lao4_sto1.5/scf/scf1/k6/' > ngauss = 1 > degauss = 0.05 > Emin = -15.0, Emax = 14.65 > DeltaE = 0.01 > / > ----------------------------- > I use a parallel version of MPI running on 8 CPUs. > In the output after the program is calling projwave I obtain the following > error warnings: > > --------------------------------------- > Calling projwave .... > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > from davcio : error # 10 > error while reading from file > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > stopping ... > p6_23517: p4_error: : 0 > rm_l_6_23519: (239.507812) net_send: could not write to fd=5, errno = 32 > p0_22475: p4_error: interrupt SIGx: 13 > p1_22477: p4_error: interrupt SIGx: 13 > p2_22478: p4_error: interrupt SIGx: 13 > p3_22479: p4_error: interrupt SIGx: 13 > p5_22481: p4_error: interrupt SIGx: 13 > p7_23518: p4_error: interrupt SIGx: 13 > p4_22480: p4_error: interrupt SIGx: 13 > p2_22478: (253.859375) net_send: could not write to fd=5, errno = 32 > p1_22477: (253.863281) net_send: could not write to fd=5, errno = 32 > p0_22475: (253.937500) net_send: could not write to fd=4, errno = 32 > p3_22479: (254.058594) net_send: could not write to fd=5, errno = 32 > p5_22481: (259.597656) net_send: could not write to fd=5, errno = 32 > p7_23518: (259.707031) net_send: could not write to fd=5, errno = 32 > p4_22480: (260.359375) net_send: could not write to fd=5, errno = 32 > ------------------------------ > > I would be grateful for any help and advice. > With best regards, > > Natalia Pavlenko > > ----------------------------------------------- > Dr. Natalia Pavlenko > Institute for Condensed Matter Physics, > Lviv, Ukraine > > Tel.: +38-0322-707401 > Fax: +38-0322-761158 > ------ ====================================================================== L.F.Huang(???) DFT and phonon physics ====================================================================== Add: Research Laboratory for Computational Materials Sciences, Instutue of Solid State Physics,the Chinese Academy of Sciences, P.O.Box 1129, Hefei 230031, P.R.China Tel: 86-551-5591464-326(office) Fax: 86-551-5591434 Our group: http://theory.issp.ac.cn ====================================================================== -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110110/a72250b3/attachment.htm