[Wien] error In source file qmix7.F
Respected Prof. Blaha Respected Laurence Marks thank you for your help i m trying to compile wien2k_11 with the intel compiler (evaluation version) .i hop the error will disappear -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110601/0a608a8c/attachment.htm
[Wien] error In source file qmix7.F
Either upgrade to WIEN2k_11or try a different compiler. (I've no experience with PGI-10.) Am 29.05.2011 13:51, schrieb mouhamed mahdi: Dear Laurence Marks You will need to provide much more information: ok: $ uname -a Linux lpat 2.6.31.5-127.fc12.x86_64 #1 SMP Sat Nov 7 21:11:14 EST 2009 x86_64 x86_64 x86_64 GNU/Linux $ g++ --version g++ (GCC) 4.4.2 20091027 (Red Hat 4.4.2-7) $ gcc --version gcc (GCC) 4.4.2 20091027 (Red Hat 4.4.2-7) Im using PGI 10 with wien2k_09 ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/ --
[Wien] error In source file qmix7.F
Dear Laurence Marks You will need to provide much more information: ok: $ uname -a Linux lpat 2.6.31.5-127.fc12.x86_64 #1 SMP Sat Nov 7 21:11:14 EST 2009 x86_64 x86_64 x86_64 GNU/Linux $ g++ --version g++ (GCC) 4.4.2 20091027 (Red Hat 4.4.2-7) $ gcc --version gcc (GCC) 4.4.2 20091027 (Red Hat 4.4.2-7) Im using PGI 10 with wien2k_09 -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110529/e978e99a/attachment.htm
[Wien] error In source file qmix7.F
Dear Prof. *Peter Blaha* Does the error occur only after several scf cycles? yes about 17 Always after the same number of cycles ? no i think Did you modify case.inm in some strange way ? No Also: ls -als *.broy* $ ls -als *.broy* 4 -rw-rw-r--. 1 chemam chemam 40 mai 29 13:17 Ag3ML-Fe3ML.broyd1 0 -rw-rw-r--. 1 chemam chemam 0 mai 29 12:07 Ag3ML-Fe3ML.broyd2 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:21 Ag3ML-Fe3ML.broyd2005 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:25 Ag3ML-Fe3ML.broyd2006 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:29 Ag3ML-Fe3ML.broyd2007 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:32 Ag3ML-Fe3ML.broyd2008 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:36 Ag3ML-Fe3ML.broyd2009 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:40 Ag3ML-Fe3ML.broyd2010 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:44 Ag3ML-Fe3ML.broyd2011 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:47 Ag3ML-Fe3ML.broyd2012 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:51 Ag3ML-Fe3ML.broyd2013 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:55 Ag3ML-Fe3ML.broyd2014 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:58 Ag3ML-Fe3ML.broyd2015 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:02 Ag3ML-Fe3ML.broyd2016 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:06 Ag3ML-Fe3ML.broyd2017 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:09 Ag3ML-Fe3ML.broyd2018 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:13 Ag3ML-Fe3ML.broyd2019 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:17 Ag3ML-Fe3ML.broyd2020 thank you -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110529/4cfac753/attachment.htm
[Wien] error In source file qmix7.F
Doing a search on PGFIO-F-219 this looks like it is a standard problem which in some cases occurs with some compilers and/or broken systems, see links below. http://www.atmos.umd.edu/~sjlee/grads/ex1/a.f90 https://listserv.fysik.dtu.dk/pipermail/campos/2003-June/000569.html You will need to provide much more information: What compiler (version number, not just type) What OS What File system (32 or 64 bit) What version of WIen2k (the latest one does not do any I/O on line 258 What version of gcc and g++ (needed as this matters for I/O). Maybe someone can trace this then (but perhaps not). 2011/5/28 mouhamed mahdi mouh2009 at gmail.com: Dear Prof. Perer Blaha, thank you for your help ; i 'v the same problem Do you have enough disk space ? ? yes Otherwise: ?? rm *.broy* ?? x mixer ?? cat case.scfm case.scf ?? runsp i v done all what you ask me but it remains the same error: stop error In source file qmix7.F, at line number 258 File name = Fe3ML-Ag3ML.broyd2009??? unformatted, sequential access record = 1 PGFIO-F-219/unformatted read/unit=32/attempt to read/write past end of record. CORE? END CORE? END LAPW2 END LAPW2 END LAPW1 END LAPW1 END LAPW0 END in cycle 17??? ETEST: .0002150?? CTEST: .00358471 PLEASE what can I do to this error ;?and i m ready for any questions ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- Laurence Marks Department of Materials Science and Engineering MSE Rm 2036 Cook Hall 2220 N Campus Drive Northwestern University Evanston, IL 60208, USA Tel: (847) 491-3996 Fax: (847) 491-7820 email: L-marks at northwestern dot edu Web: www.numis.northwestern.edu Chair, Commission on Electron Crystallography of IUCR www.numis.northwestern.edu/ Research is to see what everybody else has seen, and to think what nobody else has thought Albert Szent-Gyorgi
[Wien] error In source file qmix7.F
Does the error occur only after several scf cycles? Always after the same number of cycles ? Did you modify case.inm in some strange way ? Also: ls -als *.broy* Which files exist and what size do they have ?? Am 28.05.2011 15:50, schrieb mouhamed mahdi: Dear Prof. Perer Blaha, thank you for your help ; i 'v the same problem Do you have enough disk space ? yes Otherwise: rm *.broy* x mixer cat case.scfm case.scf runsp i v done all what you ask me but it remains the same error: stop error In source file qmix7.F, at line number 258 File name = Fe3ML-Ag3ML.broyd2009unformatted, sequential access record = 1 PGFIO-F-219/unformatted read/unit=32/attempt to read/write past end of record. CORE END CORE END LAPW2 END LAPW2 END LAPW1 END LAPW1 END LAPW0 END in cycle 17ETEST: .0002150 CTEST: .00358471 PLEASE what can I do to this error ; and i m ready for any questions ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- - Peter Blaha Inst. Materials Chemistry, TU Vienna Getreidemarkt 9, A-1060 Vienna, Austria Tel: +43-1-5880115671 Fax: +43-1-5880115698 email: pblaha at theochem.tuwien.ac.at -
[Wien] error In source file qmix7.F
From: mouhamed mahdi mouh2...@gmail.com To: wien at zeus.theochem.tuwien.ac.at Date: Wed, 18 May 2011 10:36:40 +0100 Subject: error In source file qmix7.F Dear Prof. Perer Blaha, I want to calculat the MMT of a Supercell for that I run an SCF calculation after 17 cycle i got this error: stop error In source file qmix7.F, at line number 258 File name = Fe3ML-Ag3ML.broyd2009unformatted, sequential access record = 1 PGFIO-F-219/unformatted read/unit=32/attempt to read/write past end of record. CORE END CORE END LAPW2 END LAPW2 END LAPW1 END LAPW1 END LAPW0 END in cycle 17ETEST: .00032650 CTEST: .0058471 PLEAS what can I do to this error Thanks mahdi LPA algeria -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110518/813fb174/attachment.htm
[Wien] error In source file qmix7.F
Very unusual ! Do you have enough disk space ? Otherwise: rm *.broy* x mixer cat case.scfm case.scf runsp Am 18.05.2011 12:24, schrieb mouhamed mahdi: From: mouhamed mahdi mouh2009 at gmail.com mailto:mouh2009 at gmail.com To: wien at zeus.theochem.tuwien.ac.at mailto:wien at zeus.theochem.tuwien.ac.at Date: Wed, 18 May 2011 10:36:40 +0100 Subject: error In source file qmix7.F Dear Prof. Perer Blaha, I want to calculat the MMT of a Supercell for that I run an SCF calculation after 17 cycle i got this error: stop error In source file qmix7.F, at line number 258 File name = Fe3ML-Ag3ML.broyd2009unformatted, sequential access record = 1 PGFIO-F-219/unformatted read/unit=32/attempt to read/write past end of record. CORE END CORE END LAPW2 END LAPW2 END LAPW1 END LAPW1 END LAPW0 END in cycle 17ETEST: .00032650 CTEST: .0058471 PLEAS what can I do to this error Thanks mahdi LPA algeria ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/ --
