[Wien] wien2k 17.1 installation error on compiling lapw0

[tong wei]

Dear All:
 I am installing wien2k 17.1 on a machine of intel E5 cpu with centos6.7-64bit, fortran compiler intel composer_xe_2011_sp1.11.339 (ifort 12.1.5) and MKL libraries.
 I seems all others modules were compiled successfully except SRC_lapw0.    lapw0 was not generated. Please help.
Here is the error message from compile.msg. The error happened on compiling "inputpars.F".
==================
......
......
mpif90 -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -I/opt/intel/composer_xe_2011_sp1.11.339/mkl/include -DLIBXC -I/usr/local/libxc-4.0.3/include  -DFFTW3 -I/usr/local/fftw3_intel12_mpich/include  -DParallel -c inputpars.F
inputpars.F(6): error #7013: This module file was not generated by any release of this compiler.   [XC_F03_LIB_M]
      use xc_f03_lib_m
----------^
inputpars.F(17): error #6457: This derived type name has not been declared.   [XC_F03_FUNC_T]
      TYPE(xc_f03_func_t) :: xc_func
-----------^
inputpars.F(18): error #6457: This derived type name has not been declared.   [XC_F03_FUNC_INFO_T]
      TYPE(xc_f03_func_info_t) :: xc_info
-----------^
inputpars.F(162): error #6404: This name does not have a type, and must have an explicit type.   [XC_FUNC]
          call xc_f03_func_init(xc_func,id_func_x,XC_UNPOLARIZED)
........
........
/tmp/ifortySaxfQ.i(842): catastrophic error: Too many errors, exiting
compilation aborted for inputpars.F (code 1)
make[1]: *** [inputpars.o] 错误 1
make[1]: Leaving directory `/usr/local/WIEN2k_17.1/SRC_lapw0'
make: *** [para] 错误 2
====================

My configuration:
SYSTEm: LI   Linux (Intel ifort compiler (12.0 or later)+mkl+intelmpi))
compilers: ifort, icc
compiler and linker options:
  O   Compiler options:        -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -I$(MKLROOT)/include
  L   Linker Flags:            $(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread
  P   Preprocessor flags       '-DParallel'
  R   R_LIBS (LAPACK+BLAS):    -lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread
  X   LIBX options:            -DLIBXC -I/usr/local/libxc-3.0.0/include
      LIBXC-LIBS:              -L/usr/local/libxc-3.0.0/lib -lxcf03 -lxc
 Summary of parallel settings :
         Parallel compiler      : mpif90 (***from mpich3.1 compiled by ifort 12.1.5 20120612****)
         SCALAPACK_LIBS         : -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64
         FFTW_OPT               : -DFFTW3 -I/usr/local/fftw3_intel12_mpich/include
         FFTW_LIBS              : -L/usr/local/fftw3_intel12_mpich/lib -lfftw3
         FFTW_PLIBS             : -lfftw3_mpi
         ELPA_OPT               : -DELPA -I/usr/local/elpa-2015.11/include/elpa-2015.11.001/elpa
                    -I/usr/local/elpa-2015.11/include/elpa-2015.11.001/modules
         ELPA_LIBS              : -lelpa -L/usr/local/elpa-2015.11/lib -Wl,-rpath=/usr/local/elpa-2015.11/lib
         FPOPT(par.comp.options): -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -I$(MKLROOT)/include
         MPIRUN command         : mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
________________________________
weitongwei at hotmail.com
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20180120/fa2e3eed/attachment.html>