LINUX-AMD64-INTEL-MPI

#INFO#
#INFO# Configuration to build a parallel MPI/OMP QM/MM executable for a linux HPC
#INFO# with an AMD64/EM64T cpu (Opteron/AthlonFX/Athlon64/Xeon-EM64T) using 
#INFO# the Intel Fortran Compiler version 12.0 or later with EM64T extensions.
#INFO# Note that the standard cpp pre-compiler may fail, It is safer to use
#INFO# the fpp included in the Intel Composer package at least for Intel
#INFO# versions > ver.15.0
#INFO# This seems to be due to the fact that the free non-commercial compilers
#INFO# are no longer available ay Intel.
#INFO# Alternatively, if you do not have fpp, you can try with cpp -P -traditional
#INFO# omitting the deprecated option -C
#INFO# See https://software.intel.com/en-us/forums/topic/330003
#INFO# WARNING: The clause "collapse(n)" may not work in old compilers and
#INFO#          is known to have troubles on the Fujitsu compiler (K-computer
#INFO#          and Fujitsu FX10 machine) and Intel Fortran Compiler version
#INFO#          11 and former ones. Since ifort v.12.0.3 bugs have been fixed.
#INFO#          Please, refer to the discussion you see in
#INFO#          http://openmp.org/forum/viewtopic.php?f=3&t=1023&start=10
#INFO#          and check carefully your compiler and OS.
#INFO#          This should no longer be an issue since 1/1/2014
#INFO#          The options -heap-arrays # (e.g. #=64) and/or -fast can cause
#INFO#          conflict with MKL resulting in "segmentation fault"
#INFO#  Strasbourg/Tokyo - January 2018
#INFO#
     IRAT=2
     FC='mpif90'
     CC='mpicc'
     LD='mpif90'
     CPP='fpp -P -traditional'
     CPPFLAGS='-D__Linux -D__INTEL -DLINUX_IFC -D__HAS_FFT_DEFAULT -D__HAS_BF_STREAM_IO \
               -D__HAS_SIZEOF -D__PARALLEL -D__HASNT_F03_EXECUTE_COMMAND_LINE \
               -D__HASNT_F08_ISO_FORTRAN_ENV -D__HASNT_OMP_45'
     CPPFLAGS_GROMOS='-DEWALD -DEWATCUT -DHAT_SHAPE -UNPACKED_GRID \
             -D__Linux -D__INTEL -DLINUX_IFC -D__HAS_FFT_DEFAULT -D__HAS_BF_STREAM_IO \
             -D__HAS_SIZEOF -D__PARALLEL -D__HASNT_F03_EXECUTE_COMMAND_LINE \
             -D__HASNT_F08_ISO_FORTRAN_ENV -D__HASNT_OMP_45'
     FFLAGS_GROMOS='-fixed $(FFLAGS)'
     FFLAGS_GROMOS_MODULES='$(FFLAGS)'
     if [ $debug ]; then
       FFLAGS='-g -O0 -pc64 '
       CFLAGS='-g -Wall -m64 -O0'
     else
       FFLAGS='-O2 -pc64 -funroll-loops '
       CFLAGS='-O2 -Wall -m64'
     fi
     if [ $omp ]; then
       FFLAGS=${FFLAGS}' -qopenmp'
       OMP3_DISABLED='false'
       LIBS='-mkl=parallel'
     else
       LIBS='-mkl=sequential'
     fi
     LFLAGS='-static-intel '${LIBS}