orch:Installation Guide

Installation

The following steps must be completed before you can use ORCh:

• Install at the root of your account the directory 'gt_comb' with cantera in it. Within the cantera directory you must see:

 Cantera  Makefile  bin  build  config.h  data  ext  tools 

• Compile Cantera package

 make clean 
 make 

• Add to your .bashrc file:

export GTCOMB_CT_HOME=/home/yourloggin/gt_comb/cantera
export GTCOMB_CT_HOSTTYPE=x86_64-unknown-linux-gnu
export GTCOMB_CT_DATA=$GTCOMB_CT_HOME/data

• In the directory tool of the ORCh method you must read:

Makefile  ORCh  Selection.dat  Selection_read.dat  analytic_schemes  conditions.h  main  mechanisms  outputs

• All the openmpi and gcc-compiler libraries must be available on your machine, typically you need something like below in your .bashrc file (some may already be there no need to duplicate):

source /opt/intel/composerxe/bin/compilervars.sh intel64
export INTEL_HOME="/opt/intel/composerxe"
export INTEL_INC="$INTEL_HOME/include"
export INTEL_LIB="$INTEL_HOME/lib"
export INTEL_BIN="$INTEL_HOME/bin"
export INTEL_MAN="$INTEL_HOME/man"
export PATH="$INTEL_BIN:$PATH"
export LIBRARY_PATH="$INTEL_LIB:$LIBRARY_PATH"
export LD_LIBRARY_PATH="$INTEL_LIB:$LD_LIBRARY_PATH"
export MANPATH="$INTEL_MAN:$MANPATH"

export MPI_HOME="/local/openmpi/intel-14.0.2/1.8.1"
export MPI_INC="$MPI_HOME/include"
export MPI_LIB="$MPI_HOME/lib"
export MPI_BIN="$MPI_HOME/bin"
export MPI_MAN="$MPI_HOME/share/man"
export PATH="$MPI_BIN:$PATH"
export LIBRARY_PATH="$MPI_LIB:$LIBRARY_PATH"
export LD_LIBRARY_PATH="$MPI_LIB:$LD_LIBRARY_PATH"
export MANPATH="$MPI_MAN:$MANPATH"

export HDF5_HOME="/local/hdf5/intel-14.0.2/1.8.12"
export HDF5_INC="$HDF5_HOME/include"
export HDF5_BIN="$HDF5_HOME/bin"
export HDF5_LIB="$HDF5_HOME/lib"
export PATH="$HDF5_BIN:$PATH"
export LIBRARY_PATH="$HDF5_LIB:$LIBRARY_PATH"
export LD_LIBRARY_PATH="$HDF5_LIB:$LD_LIBRARY_PATH"

export PAPI_HOME="/local/papi/intel-14.0.2/5.3.0"
export LANG=C
export LC_ALL=C
export CPLUS_INCLUDE_PATH=$CPLUS_INCLUDE_PATH:/usr/include/x86_64-linux-gnu/c++/4.8

• Check that the compilation of the ORCh package runs fine

 make clean 
 make