[Wien] error in calculation with wien2k

farouk boutaiba boutaiba_f at yahoo.fr
Tue Jun 26 11:54:01 CEST 2012


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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