Install Libraries on JURECA with ifort 17.0.2 and Parastation MPI

The libraries used by CLaMS are installed in directory /homec/jicg11/jicg1108

load modules

• module purge
  module load intel-para
  module load netCDF-Fortran

qhull

Possibly the name of the C-routine qhull_dll in file unix.c must be adjusted: for gcc it must be qhull_dll_ !

• cd ~/qhull
  make new  
  mv libqhull.a libqhull_gcc5.4.0.a
  
  cd ~/clams_lib
  ln -sf ../qhull/libqhull_gcc5.4.0.a ./libqhull.a
  
  cd ~
  chmod -R 755 qhull

numrec

• cd ~/numrec-f90
  
  mkdir lib_ifort17.0.2
  mkdir mod_ifort17.0.2
  mkdir obj_ifort17.0.2

  in Makefile.numrec:

  •    F90 = ifort
       objDir = obj_ifort17.0.2
       modDir = mod_ifort17.0.2
       libDir = lib_ifort17.0.2

  make -f Makefile.numrec  new

  The following error occurs:
  catastrophic error: **Internal compiler error: internal abort** Please report this error along with the circumstances in which it occurred in a Software Problem Report. Note: File and line given may not be explicit cause of this error. compilation aborted for src/sprsin.f90 (code 1)

  • => in Makefile.numrec: sprsin removed from progfilelist !!!

  cd ~/clams_lib
  ln -sf ../numrec-f90/lib_ifort17.0.2/libnumrec.a .
  
  cd ~/clams_mod
  ln -sf ../numrec-f90/mod_ifort17.0.2/nr.mod .
  ln -sf ../numrec-f90/mod_ifort17.0.2/nrtype.mod .
  ln -sf ../numrec-f90/mod_ifort17.0.2/nrutil.mod .
  
  cd ~
  chmod -R 755 numrec-f90

netcdf

• Netcdf is installed on Jureca for different C and Fortran compiler versions.
• If the netcdf module is loaded, "ncdump" and "ncgen" can be used and compilation of programs using netcdf is possible (without specifying any library or include paths).
• Compile Fortran program with NetCDF:

  ifort -o progname progname.f90 -lnetcdff -lnetcdf -lhdf5_hl -lhdf5 -lz

• After loading the netcdf module the following environment variables are expanded:

  • PATH includes directory with netcdf binaries (ncdump)

  • CPATH includes directory with include-files and netcdf-modules

  • LD_LIBRARY_PATH includes directories with all needed libraries (netcdf, hdf5, zlib etc)

utils

• Following files were adapted:
  • utils-cf/Makefile
  • mkincl/platform.mk
  • mkincl/config/config.Linux_ifc
• Serial version of library:

  cd ~/utils-cf
  
  make theLibrary
  
  cd ~/clams_lib
  ln -sf ../utils-cf/lib_linux_ifc_17.0.2/libutils-icg1.a .
  
  cd ~/clams_mod
  ln -sf ../utils-cf/mod_linux_ifc_17.0.2/* .
  
  cd ~
  chmod -R 755 utils-cf

• MPI version of library:

  cd ~/utils-cf
  
  make useMPI=true theLibrary
  
  cd ~/clams_lib_mpi
  ln -sf ../utils-cf/lib_linux_ifc_17.0.2_mpi/libutils-icg1.a .
  
  cd ~/clams_mod_mpi
  ln -sf ../utils-cf/mod_linux_ifc_17.0.2_mpi/* .
  
  cd ~
  chmod -R 755 utils-cf