[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:

[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 ES

[Wien] error In source file qmix7.F

Let me clarify my interpretation of Peter's response. There is no real bug in the mixer, both in version 9 (that you have) and version 11 (current). What you have found is probably some strange bug with the compiler, and if you google the error message you mention you will find that there are sugge

[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 1

[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

[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

[Wien] error In source file qmix7.F

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,

[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 pro

[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 mailto:mouh2009 at gmail.com>> > To: wien at zeus.theochem.tuwien.ac.at zeus.theochem.tuwien.a

[Wien] error In source file qmix7.F

From: mouhamed mahdi 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 fi