[Wien] Problem in using wien2k in parallel mode
Saeid Jalali Asadabadi
sjalali at phys.ui.ac.ir
Fri Jan 13 19:01:35 CET 2012
It is not straightforward to determine the source of the error by your
given incomplete information.
What is "OMP_NUM_THREADS" set to?
Did you set an "unlimited stacksize"?
Maybe the problem originates from incompatibility of your linux system
and compilers.
What are your fortran compiler and MKL library?
Did you add -traceback -C to your Compiler options?
Iis your system 32 or 64 bit?
If your system is 32 (64) bit, did you use 32 (64) bit library?
Did you read Compiling
Did you read the information given in the FAQ? I suggest to see read
carefully the note provided by Gerhard Fecher, see "WIEN2k on Linux
and ifort (including compiler installation and tips for older
versions) (including an external link provided by G.Fecher)" in the FAQ:
http://www.wien2k.at/reg_user/faq/ifort.html
http://www.ghfecher.de/Fecher_CompileIntel.pdf
These show that you would first work, and contact with your
adminstartor. If your problem is not solved, then you would post your
complete information in detail. In this case, I am prety sure that you
will most likely receive valuable comments from experts via the active
mailinglist of the code.
Quoting Bakhtiar ul Haq <bakhtiarjadoon at gmail.com>:
> Hi Dear all wien users,
> Here I am using wien2k_11.1 on Dell quad-core work station with four
> intel Xeon
> processors and 12GB RAM in ubuntu 11.10 environment. The system works well
> for light calculations but for heavy calculations it gives error llike
> "Stack trace terminated abnormally, (174): SIGSEGV, segmentation fault
> occurred". My system utilizes memory less the 1GB out of 12GB, and it looks
> like working on a single processor system. I think I am making errors during
> installation. Kindly suggest me the changes that should be made for
> parallel installations as compared to installation on a single
> processor..
> Thanks
>
>
> *With Best Regards
>
> Bakhtiar Ul Haq
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
Sincerely yours,
S. Jalali
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Saeid Jalali Asadabadi,
Department of Physics, Faculty of Science,
University of Isfahan (UI), Hezar Gerib Avenue,
81744 Isfahan, Iran.
Phones:
Dep. of Phys. :+98-0311-793 2435
Office :+98-0311-793 4176
Fax No. :+98-0311-793 4800
E-mail :sjalali at phys.ui.ac.ir
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Homepage :http://sci.ui.ac.ir/~sjalali
www :http://www.ui.ac.ir
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