[Wien] wien2k help

[Laurence Marks]

For certain change -i8 and replace it by -r8.

---------------------------
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
 On Jun 4, 2013 6:28 PM, "qinfang zhang" <qfangzhang at gmail.com> wrote:

>   Dear Sir,
>
> I tried to install wien2k on my own cluster. My system is Debian wheezy,
> amd64 and the version of Ifort is l_fcompxe_intel64_2013.4.183
>
> I always have this problem when using the latest ifort 64 bit.
>
> recpr.f(210): error #6285: There is no matching specific subroutine for
> this generic subroutine call. [DOREALLOCATE]
> call doreallocate(kzz, 3, nwav1)
> -------------^
> recpr.f(228): error #6285: There is no matching specific subroutine for
> this generic subroutine call. [DOREALLOCATE]
> call doreallocate(kzz, 3, nk)
> -------------^
> compilation aborted for recpr.f (code 1)
>
> If I use the same version 32 bit ifort, it is OK.
>
>
>
> The following is set as the guide from intel website.
>
> Current settings:
> O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
> -traceback -i8 -I$(MKLROOT)/include/intel64/
> ilp64 -I$(MKLROOT)/include
> L Linker Flags: $(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread
> P Preprocessor flags '-DParallel'
> R R_LIB (LAPACK+BLAS): -L$(MKLROOT)/lib/intel64
> $(MKLROOT)/lib/intel64/libmkl_blas95_ilp64.a
> $(MKLROOT)/lib/intel64/libmkl_lapack95_ilp64.a -lmkl_intel_ilp64
> -lmkl_sequential -lmkl_core -lpthread -lm
>
>
>  Best Regards,
>  qinfang
>
> --
> Qinfang Zhang ( 张勤芳 )
> Key Laboratory for Advanced Technology in Enviromental Protection of
> Jiangsu Province
> Yancheng Institue of Technology
> No. 9  Yingbin  Avenue, Yancheng, Jiangsu, P.R. China
> Email: qfangzhang at gmail.com ;  q.zhang at riken.jp
> Tel:     0086-515-88298920  Mobile: 0086-15161992601
>
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