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 <gs...@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....@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 <gs...@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. >>> >>> _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >
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