[Wien] Problem in wien2k17 installation on remote server

[Gavin Abo]

The libmkl_gf_ilp64.a looks wrong [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10586.html 
].

Since you are using gfortran instead of ifort, did you select "LG" and 
"Your compiler: gfortran" during the install?

If not, you may want to start the install over from the beginning by 
doing [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17823.html 
]:

rm WIEN2k_INSTALLDATE

Then, perform the gfortran serial calculation install [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17175.html 
].
- libxc-4.0.4.tar.gz can be replaced by the new libxc-4.2.3.tar.gz [ 
http://www.tddft.org/programs/libxc/download/ ]
- Instead of the 17.1 patches, the 18.2 patches can be used [ 
https://github.com/gsabo/WIEN2k-Patches/tree/master/18.2 ]

Add LD_LIBRARY_PATH to libopenblasp.so.0 for your Linux environment [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17212.html ]

On 9/1/2018 5:57 AM, Indranil mal wrote:
> Could you please tell me what would be the compiler and linker 
> settings for my system. I have used
>
>
> Recommended options for system linuxgfortran are:
>       Compiler options:        -ffree-form -O2 -ffree-line-length-none
>       Linker Flags:            $(FOPT) -L../SRC_lib
>       Preprocessor flags:      '-DParallel'
>       R_LIB (LAPACK+BLAS):     /opt/libopenblas /opt/liblapack -lpthread
>
>  Current settings:
>   O   Compiler options:        -ffree-form -O2 -ffree-line-length-none 
> -fdefault-integer-8 -m64 -I${MKLROOT}/include
>
>   L   Linker Flags:           $(FOPT)
>
>   P   Preprocessor flags       '-DParallel'
>
>   R   R_LIBS (LAPACK+BLAS):    -Wl,--start-group 
> ${MKLROOT}/lib/intel64/libmkl_gf_ilp64.a 
> ${MKLROOT}/lib/intel64/libmkl_gnu_thread.a 
> ${MKLROOT}/lib/intel64/libmkl_core.a -Wl,--end-group -lgomp -lpthread 
> -lm -ldl
>
> X   LIBX options:            -DLIBXC -I/opt/etsf/include
>       LIBXC-LIBS:              -L/opt/etsf/lib/ -lxcf03 -lxc
>
> On Sat, Sep 1, 2018 at 4:54 PM Indranil mal <indranil.mal at gmail.com 
> <mailto:indranil.mal at gmail.com>> wrote:
>
>     After compiling with gfortran I got the compile message attached
>     bellow. please help me
>
>     On Wed, Aug 29, 2018 at 6:34 AM Gavin Abo <gsabo at crimson.ua.edu
>     <mailto:gsabo at crimson.ua.edu>> wrote:
>
>         ifort: Command not found <- As it says, it cannot find ifort
>         installed on your system.  When you installed ifort using
>         install_GUI.sh (or install.sh), did it finish without errors [
>         https://software.intel.com/en-us/articles/intel-compilers-for-linux-and-mac-os-x-compiler-installation-help
>         ]?  After that finished, did you add the source line for your
>         ifort version to compilervar.sh to your .bashrc (or
>         compilervar.csh to .cshrc) [
>         https://software.intel.com/en-us/articles/setting-up-the-build-environment-for-using-intel-c-or-fortran-compilers
>         ]?
>
>
>         On 8/28/2018 1:55 PM, Indranil mal wrote:
>>         I have installed fftw in the directory, where I have
>>         installed the WIEN2k. after ./siteconfig_lapw I have made the
>>         compiler and all options as mentioned in the recomended one
>>         but when I have tried the compile I got error and warnings.
>>         In the compile.msg file it was written that " *rm -f  *.o
>>         clean
>>         ifort -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
>>         -traceback -assume buffered_io -I/include -c fminenefitCOA.f
>>         make: ifort: Command not found
>>         Makefile:46: recipe for target 'fminenefitCOA.o' failed
>>         *
>>         *make: *** [fminenefitCOA.o] Error 127*"
>>
>>         please help me.
>
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