[Wien] wien2k help

qinfang zhang qfangzhang at gmail.com
Wed Jun 5 01:27:53 CEST 2013


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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