[Wien] Problem in wien2k17 installation on remote server

[Indranil mal]

I have used LG while configuring the system

Could you please tell me what would be the compiler and linker settings for
my system. I have used  the following


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 2:36 PM Gavin Abo <gsabo at crimson.ua.edu> wrote:

> 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>
> 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> 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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