[Wien] error In source file qmix7.F

2011-06-01 Thread mouhamed mahdi
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:

[Wien] error In source file qmix7.F

2011-05-30 Thread Peter Blaha
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

[Wien] error In source file qmix7.F

2011-05-29 Thread 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

[Wien] error In source file qmix7.F

2011-05-29 Thread mouhamed mahdi
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

[Wien] error In source file qmix7.F

2011-05-28 Thread Laurence Marks
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

[Wien] error In source file qmix7.F

2011-05-28 Thread Peter Blaha
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

[Wien] error In source file qmix7.F

2011-05-18 Thread mouhamed mahdi
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

[Wien] error In source file qmix7.F

2011-05-18 Thread Peter Blaha
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