[Wien] wien2k help

[Gavin Abo]

For 64 bit, I think you have to compile Wien2k with interface layer 
without "I" (i.e., LP64).

On 6/4/2013 5:57 PM, Laurence Marks wrote:
>
> For certain change -i8 and replace it by -r8.
>
> ---------------------------
> Professor Laurence Marks
> Department of Materials Science and Engineering
> Northwestern University
> www.numis.northwestern.edu <http://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 
> <mailto: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 ( ??? )
>     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 <mailto:qfangzhang at gmail.com> ;
>     q.zhang at riken.jp <mailto:q.zhang at riken.jp>
>     Tel:     0086-515-88298920  Mobile: 0086-15161992601
>

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