I have tried another system. It goes well. Thanks!
wangjingjing at ciac.jl.cn
??2011-11-10
eochem.tuwien.ac.at/pipermail/wien/attachments/2010/2fceb54b/attachment.htm>
This looks very strange. The scripts should pickup the complex option
(-c) if a non-zero case.in1c exists in the directory and then continue
with it. I would recreate the case and check that there is not
something strange in the input, maybe change to "-xf" in lapw1cpara.
If all else fails attach t
You have to combine them. Simply concatenate them (cat command) and then
remove the "header-lines from all the different cases (except the first one).
Am 10.11.2011 11:52, schrieb ali ghafari:
> Dear Prof. Blaha
>
> I want to use Boltztrap code for calculating Transport properties. As I know,
> I
Victor Y. Zenou
PhD student
Department of Materials Engineering
BGU?
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Great, thank you I will try this. I haven't seen this as I'm new to
the mailing list. I actually eliminated the the segmentation fault by
linking to libmkl_mc.so explicitly, this however has caused an error
in SECLR4. Don't think I'm further along, but at least the error is
different.
Hi,
I am experiencing a segmentation fault when running WIEN2k compiled
using the most recent version of the Intel FORTRAN compiler & MKL
library (composer_xe_2011_sp1.7.256). The computer it's being run on
is a 2009 Mac Pro with 2 quad core intel xeon 5500 series processors
at 2.93GHz and 8GB RAM.
t;Research is to see what everybody else has seen, and to think what
> nobody else has thought"
> Albert Szent-Gyorgi
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Hi Aaron,
If you have been following some of the recent mailing list posts, I
think this error is because of the intel compiler. I had the same or
similar error with update 6. I never tried update 7, but it sounds like
the compiler does not seem to be compiling the Wien2k code correctly
like
/lapw1 uplapw1.def failed
> stop error
Thank you for helps.
Sincerely,
sufyan Naji
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Hello,
I maintain our Wien2k computer and a student sent me this error. I am
unable to pinpoint this error.
Thanks for your help,
Jason Vielma
Quoting Robert Kykyneshi :
Jason,
There seems to be a problem stil
In which case you have two options:
a) Use more and/or faster computers/cores
b) Reduce the accuracy of the calculation. A common mistake is to use
an RKMAX of 7 with small RMTs, whereas one should somewhat scale as
RKMAX/min(RMT). Warning: it is not exactly this and one has to
increase slightly fo
nfo/wien<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>
>
>
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Read!
You have mixed linking to "Compiler/11.1" and "composerxe-2011.3.191".
These are different versions, and can easily lead to chaos. Yes, this
will require that you read up and understand a bit about linking,
environments and similar -- and you need to do this as it is not
possible for me or a
t; zeus.theochem.tuwien.ac.at>
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
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> Wien mailing list
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For something like this it is ALWAYS a good idea to put the error into
a google search, e.g. search on
MKL FATAL ERROR on load the function mkl_blas_dpotrf_u_small
This does not bring up an exact match, but the link
http://software.intel.com/en-us/forums/showthread.php?t=61978
looks useful. Thi
Sorry, but nobody is going to be able to help you with such little
information. Did you run the standard TiO2 and TiC problems first? Do
they work? Did you look in the *.error files to see if anything went
wrong? Did you look in the case.output1up file to see where it
stopped?
Did you check the ma
mailing list
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ien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
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Boltztrap? ??
Best Regards
Ali
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