[Wien] Compile WIEN2K_10 on Ubuntu10.04 (AMD64) by INTEL fortran 11.1.072

[Donghui Guo]

Dear Wien2kers,
I am trying to compile newest version of Wien2k_10 on Ubuntu 10.04 system. I
met the problem as "W2kinit_tmp_.F(28): error #5102: Cannot open include
file 'mkl_vml.fi'" during compiling. It happened on lapw1/2/3 programs.
Here is detail information:
1) OS, processor, and compiler:
    Ubuntu 10.04 (AMD64)
    AMD Phenom (tm) II X2 545
    /opt/intel/Compiler/11.1/072/bin/intel64/ifort
    gcc (Ubuntu 4.4.3-4ubuntu5) 4.4.3
2) compile specification
    system: I    Linux (Intel ifort 11.1 compiler + mkl )
    compiler: for f90
                /opt/intel/Compiler/11.1/072/bin/intel64/ifort
                  for C
                 gcc
3) compile options
    O   Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -traceback
    L   Linker Flags:            $(FOPT)
-L/opt/intel/Compiler/11.1/072/mkl/lib/em64t -lguide -lpthread
    P   Preprocessor flags       '-DParallel'
    R   R_LIB (LAPACK+BLAS):
-L/opt/intel/Compiler/11.1/072/mkl/lib/em64t -lmkl_lapack -lmkl_intel_lp64
-lmkl_intel_thread -lmkl_core -openmp -lpthread -lguide
Meanwhile, I added two lines as following in ~/.bashrc file:
    source /opt/intel/Compiler/11.1/072/bin/ifortvars.sh intel64
    source
/opt/intel/Compiler/11.1/072/mkl/tools/environment/mklvarsem64t.sh
and added two lines as following in /etc/ld.so.conf file
    /usr/lib
    /usr/lib32
and loadconfig

After compiled lapw2, I got following message:

SRC_lapw0/compile.msg:W2kinit.F(28): error #5102: Cannot open include file '
mkl_vml.fi'
SRC_lapw0/compile.msg:make[1]: *** [W2kinit.o] Error 1
SRC_lapw0/compile.msg:make: *** [seq] Error 2
SRC_lapw1/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open include
file 'mkl_vml.fi'
SRC_lapw1/compile.msg:make[1]: *** [W2kinit.o] Error 1
SRC_lapw1/compile.msg:make: *** [real] Error 2
SRC_lapw1/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open include
file 'mkl_vml.fi'
SRC_lapw1/compile.msg:make[1]: *** [W2kinit.o] Error 1
SRC_lapw1/compile.msg:make: *** [complex] Error 2
SRC_lapw2/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open include
file 'mkl_vml.fi'
SRC_lapw2/compile.msg:make[1]: *** [W2kinit.o] Error 1
SRC_lapw2/compile.msg:make: *** [real] Error 2
SRC_lapw2/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open include
file 'mkl_vml.fi'
SRC_lapw2/compile.msg:make[1]: *** [W2kinit.o] Error 1
SRC_lapw2/compile.msg:make: *** [complex] Error 2

I looked into the compile.msg and found the problem should be
"W2kinit_tmp_.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
       include 'mkl_vml.fi'
---------------^
compilation aborted for W2kinit_tmp_.F (code 1)
make[1]: *** [W2kinit.o] Error 1
make[1]: Leaving directory `/home/guo/wien2k/SRC_lapw2'
make: *** [complex] Error 2"

I check the folder and the "mkl_vml.fi" file is surely located in
"/opt/intel/Compiler/11.1/072/mkl/include".

SO, what can I do to resolve this problem? Any suggestion is welcomed.

Thank you in advance.
regards,
Guo
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