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
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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
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
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
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
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
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
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
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