[Wien] error in calculation with wien2k

[Gavin Abo]

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>
> *À :* "wien at zeus.theochem.tuwien.ac.at" <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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> Wien at zeus.theochem.tuwien.ac.at
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