[Wien] mkl

[Gerhard Fecher]

Hi Peter,
I guess it will not lower the number of questions about the linking of the mkl,
but a good source for the "new" (its not that new anymore) libraries and linker options is:

http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/

hopefully they keep it also with the next generation of the compiler.

I have good experienece with:
FOPT:-FR -mp1 -w -prec_div -pc80 -pad -xHost -O3 -m64 -ip -traceback
LDFLAGS:-L/opt/intel/Compiler/11.1/072/lib/intel64 -lsvml -openmp -lpthread
R_LIBS:-L/opt/intel/Compiler/11.1/072/mkl/lib/em64t -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread


Ciao
Gerhard

====================================
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 "Peter Blaha [pblaha at theochem.tuwien.ac.at]
Gesendet: Montag, 10. Mai 2010 07:47
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] mkl

Why is your compiler   f90   and not ifort ???

Please "read" what is said during siteconfig. It tries to locate your mkl libraries,
and you have to put the proper path into the linker options:

ls -al /opt/intel/Compiler/11.1/072/mkl/lib/em64t/

If you know the ifort version is:   11.1/072/

why do you put:                     11.0/074   ???

 > -traceback -L/opt/intel/11.0/074/mkl/lib/em64t


In addition, search the mailing list. Intel has changed again all names of the libraries
from ifort 11.0 to ifort 11.1
You will have to supply proper names. But this was discussed several times in this
mailing list.


> we installed the intel compiler and mkl on linux (64 bit, i870); however
> there's still a fatal error when compiling wien2k_09.2.
>
> Apparently the f90 looks for mkl, but that is nowhere:
>
> f90 -o ./aimc moduls.o charge.o  gbass.o  gener.o  aim.o main1.o
> outin.o  radial.o  reduc.o  rsur.o rotat.o  rotate.o  rotato.o
> rotdef1.o sternb.o sum.o  vnorm.o  ylm.o  dtylm.o  sumd.o  grhosphe.o
> dradial.o  gen_change.o  rotat_back.o rotate_back.o gen_brav.o
> interst.o  sphere.o  init.o  onestep.o rsurf.o  gauleg.o  critic.o
> surf.o integrho.o follow.o interp.o cputim.o jacobi.o ludcmp.o spline.o
> doit.o dtdtylm.o sumdd.o hrhosphe.o matprod.o readcs.o dipole.o rho.o
> cossin.o  intlib.o davint.o d1mach.o sortag.o follown.o SplineFit.o
> CheckCSpline.o  -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML
> -traceback -L/opt/intel/11.0/074/mkl/lib/em64t -pthread -i-static
> -lmkl_lapack -lmkl -lguide
> ld: cannot find -lmkl
> make[1]: *** [aimc] Error 1
> make[1]: Leaving directory `/huge/band/wienintel/SRC_aim'
> make: *** [complex] Error 2
>
> To check for mkl in the given dir:
> ls -al /opt/intel/Compiler/11.1/072/mkl/lib/em64t/
> -rwxr-xr-x 1 root root 19930316 Mar 25 18:04 libmkl_avx.so
> -rwxr-xr-x 1 root root   639316 Mar 25 18:09 libmkl_blacs_intelmpi_ilp64.so
> -rwxr-xr-x 1 root root   404221 Mar 25 18:05 libmkl_blacs_intelmpi_lp64.so
> -rwxr-xr-x 1 root root  3888898 Mar 25 18:03 libmkl_core.so
>
> to look for mkl everywhere (as root):
> $find / -name mkl -ls
> $
>
> i.e. nothing found.
>
> Any ideas?
>
> Thanks,
> Holger
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

--

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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