[Wien] Problem running SCF cycle

[Gerhard Fecher]

Did you check that the mkl libraries are realy in opt/intel/mkl/9.1.021/lib/32
Most probably you need to use ldconfig to tell youre system where the shared libraries are

Gerhard


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Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Arun Kr. Chatterjee [aruna_c at vsnl.net]
Gesendet: Freitag, 16. Mai 2008 20:21
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] Problem running SCF cycle

Dear all wien users,
  I am running wien2k version 03 on a machine with intel Pentium 4 processor, redhat linux 7 operating system, fortran compiler (intel) ifort version 9.1.036 and math library mkl 9.1.021. I am working on standard test case TiC. After successful compilation I did the initialization procedure.The master input files e.g TiC.struct & TiC.inst files were generated. Problem started when I run the SCF cycle. The case TiC is ano magnetic no spin one. During the run_lapw the following messages appeared:
cd/home/aruna/TiC;run_lapw-ec0.0001
LAPWO END
/home/aruna/wien2k/lapw1:error while loading shared libraries:libmkl_lapack.so: cannot open shared object file:no such file or directory
I used compiler options as follows
o:-FR -w mp1 prec_div -pad -ipo -i -static
l:-L/opt/intel/fc/9.1.021/lib -i-static
P:'-DParallel'R:-L/opt/intel/mkl/9.1.021/lib/32 -lmkl_lapack -lmkl_ia32 -lguide -lpthread
Would anyone please help to resolve this problem ?


Arun Chatterjee