[Wien] Problem in wien2k17 installation on remote server

Indranil mal indranil.mal at gmail.com
Sat Sep 1 13:57:40 CEST 2018


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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>
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