[Wien] Wien2k for AMD Athlon

[Natalia Pavlenko]

Dear Prof. Blaha, dear Drs. Eck, Spirko, Fecher and Kroeker,

Thanks a lot for your help with compilation of Wien2k on AMD Athlon!
After the use of 32 bit C compiler, the compilation+link were
performed without any errors. Also, I should point that first, despite
no problems with the compilations, in my test with SrTiO3 I got an error
at the lapw1-stage, with a warning:
undefined symbol: _intel_fast_memset

However, after I recomplied lapw1 and lapw2 with the options:

Compiler options: -FR -mp -w
Preprocessor flags $(FOPT) -L/opt/intel/mkl/8.0.1/lib/32 -static
R_LIB (LAPACK+BLAS): -lmkl_lapack -lmkl_ia32 -lguide -lpthread

the test has gone successfully without any errors.
Thank you very much again for assistance and spending your time for
answer to my question.

Sincerely,
Natalia Pavlenko
============================================
Dr. Natalia Pavlenko
Institute of Physics, University of Augsburg
Universitaetstr.1
D-86159 Augsburg Germany

Phone: 49-821-598-3255
Fax:   49-821-598-3262
E-mail: pavlenko at mailaps.org
        natalia.pavlenko at physik.uni-augsburg.de


On Fri, 9 Jun 2006, Peter Blaha wrote:

> cputim.o is created from   cputim.o  and thus compiled with the C
> compiler.
> Aparently, you used a 64 bit C compiler (and want to link it with 32 bit
> code). Make sure that also the C compiler is 32 bit.
>
> > 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_VML
> > 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 successfully
> > installed EM64t version of Wien2k on Opteron computers, but on AMD Athlon
> > 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 case
> > there are some incompatibilities between i386 and x86-64, although I use
> > 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 = (double)buffer.tms_utime/100.0;
> > /*      fprintf(stderr,"inside cputim: %lf\n",dsec);*/
> > }
> >
> >
> >
> >
> > ============================================
> > 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
> >
>
>
>                                       P.Blaha
> --------------------------------------------------------------------------
> 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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