[Wien] error in calculation with wien2k

[Fecher, Gerhard]

Most probably you may need 
-L/opt/intel/mkl/9.1.023/lib/em64t
also at beginn of the R_LIBS line

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "Gavin Abo [gsabo at crimson.ua.edu]
Gesendet: Dienstag, 26. Juni 2012 15:35
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] error in calculation with wien2k

Try changing your options to:

current:LDFLAGS:$(FOPT) -L/opt/intel/mkl/9.1.023/lib/em64t -i-static -Bstatic -lguide -L/lib64 -Bdynamic -lpthread
current:R_LIBS:-Bstatic -lmkl_lapack -lmkl_em64t -lguide -pthread -Bdynamic -lpthread

Since your ifort/mkl is an old version,  the "-static" should have linked lpthread statically when it may have needed to be linked dynamically (like above). This is due to a known issue with some versions of Linux described in the 9.1 release notes:

http://www.ualberta.ca/AICT/RESEARCH/LinuxClusters/doc/ifc91/Release_Notes.htm

There is also the possibility that the 9.1 ifort/mkl versions will not work on your system.  As mentioned in the 9.1 release notes (under System Requirements), SUSE LINUX 9 was supported by Intel.  However, your OpenSUSE 11.2 is a few versions ahead of this (see versions table: http://en.wikipedia.org/wiki/SUSE_Linux).  So you may need to update your fortran compiler.

On 6/26/2012 4:54 AM, farouk boutaiba wrote:
Thank sir for your help but i have already error when execute run_lapw:

 LAPW0 END
 forrtl: severe (71): integer divide by zero

 Stack trace terminated abnormally.

 >   stop error


BOUTAIBA Farouk
University of Science and Technology of Oran
Tel:00213555497982
________________________________
De : farouk boutaiba <boutaiba_f at yahoo.fr><mailto:boutaiba_f at yahoo.fr>
À : "wien at zeus.theochem.tuwien.ac.at"<mailto:wien at zeus.theochem.tuwien.ac.at> <wien at zeus.theochem.tuwien.ac.at><mailto:wien at zeus.theochem.tuwien.ac.at>
Envoyé le : Dimanche 24 juin 2012 15h36
Objet : error in calculation with wien2k

Dear wien2k user;

after instalation of wien2k code, I am getting following error while running x nn:

error while loading shared libraries: libguide.so: cannot open shared object file: No such file or directory
0.000u 0.000s 0:00.00 0.0%      0+0k 0+0io 0pf+0w
error: command   /root/wien/nn nn.def   failed


I have following settings:
Compiler: /opt/intel/fce/9.1.026/bin

Options:
current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -O3 -axT
current:FPOPT:
current:LDFLAGS:$(FOPT)
 -L /opt/intel/mkl/9.1.023/lib/em64t -lguide -lpthread -L/lib64
current:DPARALLEL:'-DParallel'
current:R_LIBS:-lmkl_lapack -lmkl_em64t -lguide -lpthread -pthread
current:RP_LIBS:

CPU Information
Processor (CPU):   Intel(R) Core(TM) i5-2400S CPU @ 2.50GHz
  Speed:  1,600.00 MHz
  Cores:  4
Total memory (RAM):  3.0 GiB



system Information
  Linux 2.6.31.5-0.1-desktop x86_64
  System:  openSUSE 11.2 (x86_64)
  KDE:  4.3.1 (KDE 4.3.1) "release 6"



I appreciate any help. Thanks in advance


BOUTAIBA Farouk
University of Science and Technology of Oran
Tel:00213555497982






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