[Wien] Wien2k for AMD Athlon

[Natalia Pavlenko]

Dear Torsten,

in this case 64bit MKL with -lmkl_em64t can not be linked and is
incompatible because I compile wien2k using a 32-bit version of ifort
(IA32 Intel fortran 9.0).
In principle, first I tried to use 64bit mkl when I chose em64t version
of Intel fortran, but got again problems with link to static libraries.

Best,
Natalia Pavlenko

On Fri, 9 Jun 2006, Torsten Andersen wrote:

> Dear Natalia,
>
> you have to (at least) link to the 64-bit MKL, not the 32-bit...
>
> -lmkl_em64t
>
> Best regards,
> Torsten Andersen.
>
> Natalia Pavlenko wrote:
> > Dear Colleagues,
> >
> > I'm trying to install Wien2k 6.03 on AMD Athlon 2600 (Suse Linux 10.0
> > x86_64) using a 32-bit version of Intel Fortran 9.0 and mkl 8.0.1.
> > I have already successfully installed the same version of Wien2k
> > on my Pentium 4 computer, so that on AMD Athlon I use the same
> > options for compilations:
> >
> > Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_V=
ML
> > Linker Flags:            $(FOPT) -L/opt/intel/mkl/8.0.1/lib/32
> >                          -static-libcxa -lpthread
> > Preprocessor flags       '-DParallel'
> > R_LIB (LAPACK+BLAS):     -lmkl_lapack -lmkl -lmkl_ia32 -lguide
> >
> > Although I don't have any problems on Pentium, on AMD not all programms
> > of Wien2k are successfully compiled. In particular, I cannot use
> > dstart,lapw0,lapwso,optic,qtl and number of other programs, where I get
> > the same kind of warning:
> > ---------------------------------------------------------
> > ld: warning: i386:x86-64 architecture of input file `cputim.o' is
> > incompatible with i386 output
> > --------------------------------------------------------
> >
> > It looks like something in file cputim.c which is attached below, is
> > incompatible with x86_64. I would be grateful if somebody could advise =
me
> > how to fix the problem in this file. By the way, I have also successful=
ly
> > installed EM64t version of Wien2k on Opteron computers, but on AMD Athl=
on
> > I had a problem with static linking of libraries and finally decided to
> > install at least a 32-version of Wien2k. Nevertheless, even in this cas=
e
> > there are some incompatibilities between i386 and x86-64, although I us=
e
> > 32bit-version of ifort.
> >
> > Best regards,
> > Natalia Pavlenko
> >
> > --------------------------------------cputim.c----------------------
> > #include <sys/types.h>
> > #include <sys/times.h>
> > #include <stdio.h>
> >
> > cputim_(dsec)
> > double *dsec;
> > {
> >       struct tms buffer;
> >
> >       times(&buffer);
> >       *dsec =3D (double)buffer.tms_utime/100.0;
> > /*      fprintf(stderr,"inside cputim: %lf\n",dsec);*/
> > }
> >
> >
> >
> >
> > =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D
> > Dr. Natalia Pavlenko
> > Institute of Physics, University of Augsburg
> > Universitaetstr.1
> > D-86159 Augsburg Germany
> >
> > E-mail: pavlenko at mailaps.org
> >         natalia.pavlenko at physik.uni-augsburg.de
> >
> >
> >
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
>
> --
> Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
> AG H=FCbner, Department of Physics, Kaiserslautern University
> http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/
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