#!/bin/sh

#
# PMEMD Configuration utility.
# Author: Bob Duke
# 

#------------------------------------------------------------------------------
#  set up usage statement:
#------------------------------------------------------------------------------
usage(){
cat << EOD

Usage:

./configure <platform> <compiler> <parallel implementation> \\
            [fft option] [binary trajectory option]

    where <platform> is one of

    aix                 (IBM AIX, 32 bit addressing (recommended))
    aix64               (IBM AIX, 64 bit addressing (not recommended))
    cray_xd1            (Cray XD1)
    cray_xt3            (Cray XT3)
    linux_p3_athlon     (Linux, Intel Pentium III or AMD Athlon, IA32)
    linux_p4            (Linux, Intel Pentium IV, IA32)
    linux64_opteron     (Linux, AMD Opteron or later, x86_64)
    linux_em64t         (Linux, Intel EM64T-compatible, x86_64, multicore)
    osf1_alpha          (OSF1 Tru64 UNIX, HP or Compaq AlphaServer processors)
    sgi_altix           (SGI Linux, Intel Itanium 2 processors, IA64)
    sgi_mips            (SGI IRIX UNIX, MIPS R8k,10k,12k,14k or 16k processors)

    where <compiler> is one of

    compaqf90           (Compaq Fortran 90, osf1_alpha only)
    f90                 (Native Fortran 90, sgi_mips)
    ifort               (Intel Fortran Compiler, v8+, linux*, sgi_altix)
    pathf90             (Pathscale Fortran 90/95, linux64_opteron only)
    pgf90               (Portland Group Fortran 90/95, cray*, linux*)
    xlf90               (IBM xlf90/mpxlf90/mpxlf90_r, aix_spx only)

    where <parallel implementation> is one of

    intelmpi            (Intel MPI, all platforms)
    lam                 (Gigabit ethernet LAM mpi, all platforms)
    mpi                 (native mpi, aix*, cray*, osf1_alpha, sgi_altix,
                         sgi_mips)
    mpich               (Gigabit ethernet MPICH mpi, all platforms)
    mpich2              (Gigabit ethernet MPICH2 mpi, all platforms)
    mpich_gm            (Myrinet MPICH GM mpi, all platforms)
    mvapich             (Infiniband MPICH mpi, all platforms)
    nopar               (uniprocessor, no mpi, all platforms)
    quadrics            (Quadrics mpi, all platforms)

    where [fft option] is one of

    pubfft              (public fft implementation, all platforms (default))
    fftw                (fftw 3.0, user-provided)
    sgifft              (vendor-provided fft, SGI platforms only)
    old_sgifft          (vendor-provided fft, older SGI platforms only)

    where [binary trajectory option] is one of

    nobintraj          (don't use netCDF bintraj facility (default))
    bintraj            (use netCDF bintraj facility (requires netCDF))

    The platform, compiler and parallel option MUST be specified. If the fft
    option is not specified, it defaults to pubfft, the public fft
    implementation included with pmemd.  If the binary trajectory option is
    not specified, it defaults to nobintraj.

    PMEMD 10 ships with support for the above configurations.
    Users may define other platform/compiler/parallel option/fft option
    combinations by creating a file:
    config_data/<platform>.<compiler>.<parallel opt>

===========================================================
EOD
exit 1
}

# Uncomment the following line to debug this script:
# set -x

umask 022

command="$0 $*"

basedir=`basename $PWD`
amber_src_dir=`dirname $PWD`

if [ $# -eq 1 ]; then
  if [ $1 = -help -o $1 = -HELP ]; then
    usage
  fi
  if [ $1 = -h -o $1 = -H ]; then
    usage
  fi
fi

if [ $basedir != pmemd ]; then
  echo
  echo "The PMEMD configuration script must be executed from within"
  echo "  the pmemd directory!"
  echo "PMEMD Configuration Failed!"
  exit 1
fi

if [ ! -d config_data ]; then
  echo
  echo "The PMEMD configuration script requires data in the config_data"
  echo "  directory, which does not exist!"
  echo "PMEMD Configuration Failed!"
  exit 1
fi

if [ $# -ne 3 -a $# -ne 4 -a $# -ne 5 ]; then
  echo
  echo "The command \"$command\""
  echo "  has an incorrect number of parameters!"
  echo "PMEMD Configuration Failed!"
  usage
fi

platform=$1
compiler=$2
parallel_opt=$3

fft_opt=pubfft
bintraj_opt=nobintraj

if [ $# -ge 4 ]; then
  if [ $4 = pubfft -o $4 = fftw -o $4 = sgifft -o $4 = old_sgifft ]; then
    fft_opt=$4
  elif [ $4 = nobintraj -o $4 = bintraj ]; then
    bintraj_opt=$4
  else
    echo
    echo "The command \"$command\""
    echo "  has an illegal option \"$4\""
    echo "PMEMD Configuration Failed!"
    usage
  fi
fi

if [ $# -eq 5 ]; then
  if [ $5 = pubfft -o $5 = fftw -o $5 = sgifft -o $5 = old_sgifft ]; then
    fft_opt=$5
  elif [ $5 = nobintraj -o $5 = bintraj ]; then
    bintraj_opt=$5
  else
    echo
    echo "The command \"$command\""
    echo "  has an illegal option \"$5\""
    echo "PMEMD Configuration Failed!"
    usage
  fi
fi

rm -f config.h

if [ -f config.h ]; then
  echo "Error deleting old config.h file!"
  echo "PMEMD Configuration Failed!"
  exit 1
fi

# Math libraries are only defined for a few platforms.  The default, that
# will be overridden if necessary, is:

  cat << EOD >> config.h
MATH_DEFINES =
MATH_LIBS =
EOD

if [ $platform = aix -o \
     $platform = aix64 ]; then
  echo "Please enter IBM aix processor type (pwr3,pwr4,pwr5):"
  read IBM_PROCESSOR_TYPE

  while [ $IBM_PROCESSOR_TYPE != pwr3 -a \
          $IBM_PROCESSOR_TYPE != pwr4 -a \
          $IBM_PROCESSOR_TYPE != pwr5 ]
  do
    echo "IBM aix processor type incorrect or not supported!"
    echo "Please enter IBM aix processor type (pwr3,pwr4,pwr5):"
    echo "(note that the input is case-sensitive)"
    read IBM_PROCESSOR_TYPE
  done

  echo "Use massvp libraries? (better performance) (answer yes or no):"
  read query_answer

  while [ $query_answer != yes -a \
          $query_answer != no ]
  do
    echo "Query answer must be \"yes\" or \"no\"!"
    echo "(note that the input is case-sensitive)"
    echo "Use massvp libraries? (better performance) (answer yes or no):"
    read query_answer
  done

  if [ $query_answer = yes ]; then

    cat << EOD >> config.h
MATH_DEFINES = -DMASSV
EOD

    if [ -z "$MASSVP_LIBDIR" ]; then
      echo "Please enter name of directory where massvp libraries are installed:"
      read MASSVP_LIBDIR
    else
      echo "configure assumes massvp libraries are installed in $MASSVP_LIBDIR"
    fi

    if [ $IBM_PROCESSOR_TYPE = pwr3 ]; then

      cat << EOD >> config.h
MATH_LIBS = -L$MASSVP_LIBDIR -lmassvp3
DIRFRC_DEFINES = -DDIRFRC_EFS -DIRFRC_COMTRANS
EOD
    elif [ $IBM_PROCESSOR_TYPE = pwr4 ]; then
      cat << EOD >> config.h
MATH_LIBS = -L$MASSVP_LIBDIR -lmassvp4
DIRFRC_DEFINES = -DDIRFRC_EFS -DIRFRC_COMTRANS -DSLOW_INDIRECTVEC
EOD
    elif [ $IBM_PROCESSOR_TYPE = pwr5 ]; then
      cat << EOD >> config.h
MATH_LIBS = -L$MASSVP_LIBDIR -lmassvp5
DIRFRC_DEFINES = -DDIRFRC_EFS -DIRFRC_COMTRANS
EOD
    else
      echo "PMEMD Configuration Internal Error!"
      echo "Unexpected IBM aix processor type while configure MASSVP!"
      echo "PMEMD Configuration Failed!"
      exit 1
    fi
  else

    if [ $IBM_PROCESSOR_TYPE = pwr3 ]; then

      cat << EOD >> config.h
DIRFRC_DEFINES = -DDIRFRC_EFS -DIRFRC_COMTRANS
EOD
    elif [ $IBM_PROCESSOR_TYPE = pwr4 ]; then
      cat << EOD >> config.h
DIRFRC_DEFINES = -DDIRFRC_EFS -DIRFRC_COMTRANS -DSLOW_INDIRECTVEC
EOD
    elif [ $IBM_PROCESSOR_TYPE = pwr5 ]; then
      cat << EOD >> config.h
DIRFRC_DEFINES = -DDIRFRC_EFS -DIRFRC_COMTRANS
EOD
    else
      echo "PMEMD Configuration Internal Error!"
      echo "Unexpected IBM aix processor type while configuring MASSVP!"
      echo "PMEMD Configuration Failed!"
      exit 1
    fi
  fi

  if [ $parallel_opt = nopar ]; then
  cat << EOD >> config.h
F90 = xlf90
CC = cc
LOAD = xlf90
EOD
  else
  cat << EOD >> config.h
F90 = mpxlf90_r
CC = mpcc_r
LOAD = mpxlf90_r
EOD
  fi

  cat << EOD >> config.h
IBM_PROCESSOR_TYPE = $IBM_PROCESSOR_TYPE
EOD
fi

if [ $platform = sgi_mips ]; then
  echo "Please enter MIPS processor type (r10000,r12000,r14000,r16000):"
  echo "(this may be determined using \"hinv -c processor\")"
  read MIPS_PROCESSOR_TYPE

  while [ $MIPS_PROCESSOR_TYPE != r10000 -a \
          $MIPS_PROCESSOR_TYPE != r12000 -a \
          $MIPS_PROCESSOR_TYPE != r14000 -a \
          $MIPS_PROCESSOR_TYPE != r16000 ]
  do
    echo "MIPS processor type incorrect or not supported!"
    echo "Please enter MIPS processor type (r10000,r12000,r14000,r16000):"
    echo "(this may be determined using "hinv -c processor")"
    echo "(note that the input is case-sensitive)"
    read MIPS_PROCESSOR_TYPE
  done

  cat << EOD >> config.h
MIPS_PROCESSOR_TYPE = -$MIPS_PROCESSOR_TYPE
EOD
fi

if [ $platform = osf1_alpha ]; then
  echo "Please enter ALPHA processor type (ev4,ev5,ev56,pca56,ev6,ev67,ev7,host):"
  read ALPHA_PROCESSOR_TYPE

  while [ $ALPHA_PROCESSOR_TYPE != ev4 -a \
          $ALPHA_PROCESSOR_TYPE != ev5 -a \
          $ALPHA_PROCESSOR_TYPE != ev56 -a \
          $ALPHA_PROCESSOR_TYPE != pca56 -a \
          $ALPHA_PROCESSOR_TYPE != ev6 -a \
          $ALPHA_PROCESSOR_TYPE != ev67 -a \
          $ALPHA_PROCESSOR_TYPE != ev7 -a \
          $ALPHA_PROCESSOR_TYPE != host ]
  do
    echo "ALPHA processor type incorrect or not supported!"
    echo "Please enter ALPHA processor type (ev4,ev5,ev56,pca56,ev6,ev67,ev7,host):"
    echo "(note that the input is case-sensitive)"
    read ALPHA_PROCESSOR_TYPE
  done

  cat << EOD >> config.h
ALPHA_PROCESSOR_TYPE = $ALPHA_PROCESSOR_TYPE
EOD
fi

if [ $compiler = ifort ]; then

  ifort -v >& /dev/null
  if [ $? -eq 0 ]; then
    echo "Intel ifort compiler found; version information:"
    ifort -v
  else
    echo "The configure utility REQUIRES that ifort be found!"
    echo "Please source ifortvars.sh (for sh) or ifortvars.csh (for csh)."
    echo "PMEMD Configuration Failed!"
    exit 1
  fi

  if [ -z "$LD_LIBRARY_PATH" ]; then
    echo "The configure utility REQUIRES that LD_LIBRARY_PATH be set!"
    echo "Please source ifortvars.sh (for sh) or ifortvars.csh (for csh)."
    echo "PMEMD Configuration Failed!"
    exit 1
  fi

  cat << EOD >> config.h
IFORT_RPATH = $LD_LIBRARY_PATH
EOD

# Static linking to all MKL libs now used to insure that if there are version-
# related problems, they show up at link time, not load time.

  use_mkl=no

  if [ -z "$MKL_HOME" ]; then

    echo "Use Intel MKL? (better performance) (answer yes or no):"
    read query_answer

    while [ $query_answer != yes -a \
            $query_answer != no ]
    do
      echo "Query answer must be \"yes\" or \"no\"!"
      echo "(note that the input is case-sensitive)"
      echo "Use Intel MKL? (better performance) (answer yes or no):"
      read query_answer
    done

    use_mkl=$query_answer

    if [ $use_mkl = yes ]; then
      echo "Please enter name of directory where Intel MKL files are installed:"
      read MKL_HOME
    fi
  else
    echo "configure assumes Intel MKL is installed in $MKL_HOME"
    use_mkl=yes
  fi

  if [ $use_mkl = yes ]; then

    cat << EOD >> config.h
MATH_DEFINES = -DMKL
EOD

    if [ $platform = linux_p3_athlon -o \
         $platform = linux_p4 ]; then

# Try to work out what version of MKL this is.
# Since Intel changed the linking between MKL 9 and 10.
# In version 9 and earlier of MKL the file libmkl_lapack.a is of type: current ar archive
# In version 10 and later it is of type: ASCII text
        file -b -i $MKL_HOME/lib/32/libmkl_lapack.a | grep -q "text"
        if [ $? != 0 ]; then
          #This is MKL v9.x or earlier
          echo "MKL Version 9.x or earlier detected."
          # Intel® Math Kernel Library 6.1 for Linux Technical User Notes
          #  IA-32®static linking of LAPACK and kernels
          cat << EOD >> config.h
MATH_LIBS = $MKL_HOME/lib/32/libmkl_ia32.a -L$MKL_HOME/lib/32 -lguide -lpthread
EOD
        else
          #This is MKL v10.x or later
          echo "MKL Version 10.x or later detected."
          #  IA-32 static linking of LAPACK and kernels
          cat << EOD >> config.h
MATH_LIBS = -L$MKL_HOME/lib/32/ -Wl,--start-group $MKL_HOME/lib/32/libmkl_intel.a $MKL_HOME/lib/32/libmkl_sequential.a $MKL_HOME/lib/32/libmkl_core.a -Wl,--end-group -lpthread
EOD
        fi
    elif [ $platform = linux64_opteron -o \
           $platform = linux_em64t ]; then
# Try to work out what version of MKL this is.
# Since Intel changed the linking between MKL 9 and 10.
# In version 9 and earlier of MKL the file libmkl_lapack.a is of type: current ar archive
# In version 10 and later it is of type: ASCII text
        file -b -i $MKL_HOME/lib/em64t/libmkl_lapack.a | grep -q "text"
        if [ $? != 0 ]; then
          #This is MKL v9.x or earlier
          echo "MKL Version 9.x or earlier detected."
          cat << EOD >> config.h
MATH_LIBS = $MKL_HOME/lib/em64t/libmkl_em64t.a -L$MKL_HOME/lib/em64t -lguide -lpthread
EOD
        else
          #This is MKL v10.x or later
          echo "MKL Version 10.x or later detected."
          #  IA-32 static linking of LAPACK and kernels
          cat << EOD >> config.h
MATH_LIBS = -L$MKL_HOME/lib/em64t/ -Wl,--start-group $MKL_HOME/lib/em64t/libmkl_intel_lp64.a $MKL_HOME/lib/em64t/libmkl_sequential.a $MKL_HOME/lib/em64t/libmkl_core.a -Wl,--end-group -lpthread
EOD
        fi
    elif [ $platform = sgi_altix ]; then
# Try to work out what version of MKL this is.
# Since Intel changed the linking between MKL 9 and 10.
# In version 9 and earlier of MKL the file libmkl_lapack.a is of type: current ar archive
# In version 10 and later it is of type: ASCII text
        file -b -i $MKL_HOME/lib/64/libmkl_lapack.a | grep -q "text"
        if [ $? != 0 ]; then
          #This is MKL v9.x or earlier
          echo "MKL Version 9.x or earlier detected."
          # MKL Technical Notes: Itanium static linking of LAPACK and kernels
      cat << EOD >> config.h
MATH_LIBS = $MKL_HOME/lib/64/libmkl_ipf.a -L$MKL_HOME/lib/64 -lguide -lpthread -ldl
EOD
        else
          #This is MKL v10.x or later
          echo "MKL Version 10.x or later detected."
          #We always link to the sequential version of MKL
          #since typically one runs an MPI thread for each core.
          #However, if openmp is specified, for example to turn on
          #SMP diagonalizers for QMMM then we link to the threaded version
          #of MKL and inside the code the number of threads for vector functions
          #etc will be set to 1.
          #  IA-64 static linking of LAPACK and kernels
      cat << EOD >> config.h
MATH_LIBS = -L$MKL_HOME/lib/64/ -Wl,--start-group $MKL_HOME/lib/64/libmkl_intel_lp64.a $MKL_HOME/lib/64/libmkl_sequential.a $MKL_HOME/lib/64/libmkl_core.a -Wl,--end-group -lpthread
EOD
        fi
    else
      echo "PMEMD Configuration Internal Error!"
      echo "Unexpected platform type while configuring Intel MKL!"
      echo "PMEMD Configuration Failed!"
      exit 1
    fi
  fi
fi

if [ $compiler = pathf90 ]; then

  pathf90 -v >& /dev/null
  if [ $? -eq 0 ]; then
    echo "Pathscale pathf90 compiler found; version information:"
    pathf90 -v
  else
    echo "The configure utility REQUIRES that pathf90 be found!"
    echo "Please source pscale.sh (for sh) or pscale.csh (for csh) for 64 bit linux."
    echo "Please source pscale32.sh (for sh) or pscale32.csh (for csh) for 32 bit linux."
    echo "PMEMD Configuration Failed!"
    exit 1
  fi

  if [ -z "$LD_LIBRARY_PATH" ]; then
    echo "The configure utility REQUIRES that LD_LIBRARY_PATH be set!"
    echo "Please source pscale.sh (for sh) or pscale.csh (for csh) for 64 bit linux."
    echo "Please source pscale32.sh (for sh) or pscale32.csh (for csh) for 32 bit linux."
    echo "PMEMD Configuration Failed!"
    exit 1
  fi

  cat << EOD >> config.h
PATHSCALE_RPATH = $LD_LIBRARY_PATH
EOD

# Handle pathscale linkage conventions.  By default, pathf90 follows g77 name
# mangling conventions for linkage.  If you are using mpi, and mpi was built
# to be g77-compatible, you should select the default.  If mpi was built to be
# compatible with the fortran name mangling conventions used by ifort or pgf90,
# then you should select the non-default linkage convention.  If you try one
# and have problems linking, it may be worthwhile to try the other.

  echo "Use default pathf90 link convention (GNU-compatible) (answer yes or no):"
  read query_answer

  while [ $query_answer != yes -a \
          $query_answer != no ]
  do
    echo "Query answer must be \"yes\" or \"no\"!"
    echo "(note that the input is case-sensitive)"
    echo "Use default pathf90 linkage convention (GNU-compatible) (answer yes or no):"
    read query_answer
  done

  if [ $query_answer = yes ]; then

    cat << EOD >> config.h
PATHSCALE_LINK_DEFINES = -DDBL_C_UNDERSCORE
PATHSCALE_LOADOPT =
LOAD = pathf90
EOD

  else
    cat << EOD >> config.h
PATHSCALE_LINK_DEFINES =
PATHSCALE_LOADOPT = -fno-second-underscore
EOD
  fi

fi

# Handle fft configuration.

if [ -f config_data/fft.$fft_opt ]; then

  if [ $fft_opt = fftw ]; then
    if [ -z "$FFT_INCLUDEDIR" ]; then
      echo "Please enter name of directory where fftw headers are installed:"
      read FFT_INCLUDEDIR
    else
      echo "configure assumes fftw headers are installed in $FFT_INCLUDEDIR"
    fi
    cat << EOD >> config.h
FFT_INCLUDEDIR = $FFT_INCLUDEDIR
EOD
    if [ -z "$FFT_LIBDIR" ]; then
      echo "Please enter name of directory where fftw libraries are installed:"
      read FFT_LIBDIR
    else
      echo "configure assumes fftw libraries are installed in $FFT_LIBDIR"
    fi
    cat << EOD >> config.h
FFT_LIBDIR = $FFT_LIBDIR
EOD
  fi

  echo "File config_data/fft.$fft_opt being used..."
  cat config_data/fft.$fft_opt >> config.h

# NOTE that no effort is made to insure that vendor-specific fft
# implementations are only used with a platform from the same vendor.

else

  echo
  echo "No configuration information found for fft option: $fft_opt"
  echo "You either entered an incorrect fft option or"
  echo "need to create \"fft.$fft_opt\" in the config_data directory."
  echo "PMEMD Configuration Failed!"
  usage

fi

# Handle binary trajectory configuration.

if [ $bintraj_opt = bintraj ]; then

  if [ -z "$NETCDF_HOME" ]; then
    if [ -f "../netcdf/lib/libnetcdf.a" ]; then
      NETCDF_HOME="$amber_src_dir/netcdf"
      echo "configure assumes netCDF files are in $NETCDF_HOME."
    else
      echo "Please enter directory where netCDF files are installed:"
      read NETCDF_HOME
    fi
  else
    echo "configure assumes netCDF files are in $NETCDF_HOME."
  fi

  cat << EOD >> config.h
NETCDF_HOME = $NETCDF_HOME
NETCDF_DEFINES = -DBINTRAJ
NETCDF_MOD = netcdf.mod
NETCDF_LIBS = \$(NETCDF_HOME)/lib/libnetcdf.a
EOD

else

  cat << EOD >> config.h
NETCDF_HOME =
NETCDF_DEFINES =
NETCDF_MOD =
NETCDF_LIBS =
EOD

fi

# For lam, mpich, mpich2, mpich_gm, mvapich and quadrics there are generic
# interconnect.x files available, which will provide various values, but which
# require the MPI_HOME environment variable; the MPI_LIBDIR2 environment
# variable is also required for mpich_gm mvapich, and quadrics.  Here we
# assume that if a 3-part config_data file is found ending with one of these
# interconnects, it too will require these environment variables.  This facility
# is provided so we can override some generic interconnect settings for a
# specific configuration, and so users/vendors can provide their own
# config_data files.

if [ -f config_data/$platform.$compiler.$parallel_opt ]; then

  echo "File config_data/$platform.$compiler.$parallel_opt being used..."

  if [ $parallel_opt = lam -o \
       $parallel_opt = mpich -o \
       $parallel_opt = mpich2 -o \
       $parallel_opt = mpich_gm -o \
       $parallel_opt = mvapich -o \
       $parallel_opt = quadrics ]; then
    if [ -z "$MPI_HOME" ]; then
      echo "Please enter directory where $parallel_opt mpi files are installed:"
      read MPI_HOME
    else
      echo "configure assumes $parallel_opt files are in $MPI_HOME."
    fi
    cat << EOD >> config.h
MPI_HOME = $MPI_HOME
EOD
    if [ $parallel_opt = mpich_gm ]; then
      if [ -z "$MPI_LIBDIR2" ]; then
        echo "Please enter name of directory where Myrinet libgm.a is installed:"
        read MPI_LIBDIR2
      else
        echo "configure assumes Myrinet libgm.a file is in $MPI_LIBDIR2."
      fi
      cat << EOD >> config.h
MPI_LIBDIR2 = $MPI_LIBDIR2
EOD
    fi

    if [ $parallel_opt = mvapich ]; then
      if [ -z "$MPI_LIBDIR2" ]; then
        echo "Please enter name of directory where Infiniband libraries are installed:"
        read MPI_LIBDIR2
      else
        echo "configure assumes Infiniband libraries are in $MPI_LIBDIR2."
      fi
      cat << EOD >> config.h
MPI_LIBDIR2 = $MPI_LIBDIR2
EOD
    fi

    if [ $parallel_opt = quadrics ]; then
      if [ -z "$MPI_LIBDIR2" ]; then
        echo "Please enter name of directory where Quadrics libelan.a is installed:"
        read MPI_LIBDIR2
      else
        echo "configure assumes Quadrics libelan.a file is in $MPI_LIBDIR2."
      fi
      cat << EOD >> config.h
MPI_LIBDIR2 = $MPI_LIBDIR2
EOD
    fi
  fi

  cat config_data/$platform.$compiler.$parallel_opt >> config.h

elif [ -f config_data/$platform.$compiler -a \
       -f config_data/interconnect.$parallel_opt ]; then

  echo "File config_data/$platform.$compiler being used..."
  echo "File config_data/interconnect.$parallel_opt being used..."

  if [ $parallel_opt != nopar ]; then
    if [ -z "$MPI_HOME" ]; then
      echo "Please enter directory where $parallel_opt mpi files are installed:"
      read MPI_HOME
    else
      echo "configure assumes $parallel_opt files are in $MPI_HOME."
    fi
    cat << EOD >> config.h
MPI_HOME = $MPI_HOME
EOD
    if [ $parallel_opt = mpich_gm ]; then
      if [ -z "$MPI_LIBDIR2" ]; then
        echo "Please enter name of directory where Myrinet libgm.a is installed:"
        read MPI_LIBDIR2
      else
        echo "configure assumes Myrinet libgm.a file is in $MPI_LIBDIR2."
      fi
      cat << EOD >> config.h
MPI_LIBDIR2 = $MPI_LIBDIR2
EOD
    fi

    if [ $parallel_opt = mvapich ]; then
      if [ -z "$MPI_LIBDIR2" ]; then
        echo "Please enter name of directory where Infiniband libraries are installed:"
        read MPI_LIBDIR2
      else
        echo "configure assumes Infiniband libraries are in $MPI_LIBDIR2."
      fi
      cat << EOD >> config.h
MPI_LIBDIR2 = $MPI_LIBDIR2
EOD
    fi

    if [ $parallel_opt = quadrics ]; then
      if [ -z "$MPI_LIBDIR2" ]; then
        echo "Please enter name of directory where Quadrics libelan.a is installed:"
        read MPI_LIBDIR2
      else
        echo "configure assumes Quadrics libelan.a file is in $MPI_LIBDIR2."
      fi
      cat << EOD >> config.h
MPI_LIBDIR2 = $MPI_LIBDIR2
EOD
    fi
  fi
  cat config_data/interconnect.$parallel_opt >> config.h
  cat config_data/$platform.$compiler >> config.h

else

  echo
  echo "No configuration information found for the combination:"
  echo "Platform Option = $platform"
  echo "Compiler Option = $compiler"
  echo "Parallel Option = $parallel_opt"
  echo "If you need this combination, you must create an appropriate file"
  echo "\"$platform.$compiler.$parallel_opt\" in the config_data directory."
  echo "PMEMD Configuration Failed!"
  usage

fi

if [  ! -f config.h ]; then
  echo "Error creating config.h file!"
  echo "PMEMD Configuration Failed!"
  exit 1
fi

echo "PMEMD Configurate successfully completed."