[Wien] Wien2k for AMD Athlon

[Torsten Andersen]

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_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
> 
> 
> 
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-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/