Building on RHEL

Preliminaries

The Red Hat Enterprise Linux (RHEL) operating system is found on many Linux workstations. The instructions and scripts on this page have been tested on a workstation using RHEL 7.5 with GNU 4.8.5 compilers. These scripts will probably work with other versions of RHEL and other versions of GNU with minor modifications, but they have been explicitly verified for this operating system. We also include some notes on building GridPACK using Intel compilers.

The build described below assumes that all library and include files are located in a directory /home/palmer/software/linux64. This directory name reflects a particular system and users should select a directory that reflects their own system when building external libraries. The build below assumes that an environment variable PREFIX has been set. If you are using the C-shell environment, then this variable can be set using

 setenv PREFIX /home/palmer/software/linux64

If you are using the Bourne-shell, then this variable can be set using

 export PREFIX=/home/palmer/software/linux64

Using either shell, you can verify that this variable is present and has been set correctly by typing

 env | grep PREFIX

You should see the line

 PREFIX=/home/palmer/software/linux64

in the output. The PREFIX variable is used to direct the output of the different builds to the same place.

Before starting any builds, the following variables need to be defined in the environment

     setenv CC gcc
     setenv CFLAGS "-pthread"
     setenv CXX g++
     setenv CXXFLAGS "-pthread"
     setenv FC gfortran
     setenv FCFLAGS "-pthread"

Again, this is for a C-shell environment. For the Bourne-shell, use

     export CC=gcc
     export CFLAGS="-pthread"
     export CXX=g++
     export CXXFLAGS="-pthread"
     export FC=gfortran
     export FCFLAGS="-pthread"

If you are using Intel compilers, the environment settings are

     setenv CC icc
     setenv CFLAGS "-pthread"
     setenv CXX icpc
     setenv CXXFLAGS "-pthread"
     setenv FC ifort
     setenv FCFLAGS "-pthread"

Building CMake

CMake is most likely already included on your system. However, if it is not, or the version is too old, you can build it using the script below. This has been used to build CMake version 2.8.12.

 tar xvzf cmake-2.8.12.tar.gz
 cd cmake-2.8.12
 ./bootstrap --prefix=$PREFIX
 make
 make test
 make install

Two tests failed:

 The following tests FAILED:
          25 - FindPackageTest (Failed)
         230 - CMakeOnly.AllFindModules (Failed)
 Errors while running CTest

This does not seem to affect configuration of GridPACK.

Building MPI

For most workstations, it is likely that you will need to build MPI yourself. The script below has been used to build OpenMPI 1.10.2 using the GNU 4.8.5 compilers

   configure --enable-shared=no --enable-static=yes \
       --prefix="$PREFIX" CC=gcc CXX=g++ FC=gfortran
   make -j 4
   make check
   make install

You can configure Open MPI using Intel compilers with the command

   ./configure --enable-shared=no\
               --enable-static=yes\
               --prefix="$PREFIX" \
               CC=icc CXX=icpc F77=ifort FC=ifort

Note that the environment variables are declared as part of the configure command in this example, but they could also be set using the setenv command. After building MPI, you need to make sure that MPI is in your path by setting the following environment variables. These are usually set in your .cshrc or .bashrc<tt> files so that they are automatically in your environment whenever you log in.

   setenv PATH /home/palmer/software/openmpi-1.10.2/bin:${PATH}
   setenv MANPATH /home/palmer/software/openmpi-1.10.2/share/man:${MANPATH}
   setenv LD_LIBRARY_PATH /home/palmer/software/openmpi-1.10.2/lib:${LD_LIBRARY_PATH}

If your environment is correctly set, you should have functions like <tt>mpicc and mpicxx in your path.

Building Boost

In Boost 1.54, Boost.Log was added. This uses some compiler capabilities not supported by the compilers that come with older versions RHEL, so Boost.Log is disabled. Boost seems to work fine this way with older versions of RHEL. The following script has been verified with Boost 1.65.0, but should work with many other versions.

   echo "using mpi ;" > ~/user-config.jam
   sh ./bootstrap.sh \
       --prefix="$PREFIX" \
       --without-icu \
       --with-toolset=gcc \
       --without-libraries=python,log
   ./b2 -a -d+2 link=static stage
   ./b2 -a -d+2 link=static install
   rm ~/user-config.jam

To build using the Intel compilers, substitute --with-toolset=intel-linux for --with-toolset=gcc. You may also run into problems with the name of the MPI wrapper for the C++ compiler. If it looks like configure is not finding mpic++ then replace the first line in the above script with

   echo "using mpi : /absolute/path/to/mpi/C++/wrapper ;" > ~/user-config.jam

Make sure you include the spaces around ":" and before ";".

Boost has a tendency to use cutting-edge features of the C++ compiler so it is a good idea to use a compiler version that was released at the same time as the Boost version you are working with. If you are having problems, you may better luck moving to an earlier version of Boost. If the Boost build fails, you should delete the entire boost directory and start from scratch after making corrections to your build script. Restarting a failed Boost build does not appear to work in most instances.

Building PETSc

It is a good idea to include SuperLU in PETSc. GridPACK also requires ParMETIS and METIS, so you should include them as part of PETSc instead of building them separately (see below). GridPACK works with several recent versions of PETSc, including versions 3.4-3.7. This example uses PETSc version 3.7.6 and was built with SuperLU, ParMETIS and METIS. The SuiteSparse libraries are also included in this build.

   ./configure \
      PETSC_ARCH=arch-linux2-complex-opt \
      --with-prefix=./ \
      --with-mpi=1 \
      --with-c++-support=1 \
      --with-c-support=0 \
      --with-fortran=0 \
      --with-scalar-type=complex \
      --with-fortran-kernels=generic \
      --download-superlu_dist \
      --download-superlu \
      --download-parmetis \
      --download-metis \
      --download-suitesparse \
      --download-f2cblaslapack=1 \
      --with-clanguage=c++ \
      --with-shared-libraries=0 \
      --with-x=0 \
      --with-mpirun=mpirun \
      --with-mpiexec=mpiexec \
      --prefix="$PREFIX/petsc-3.7.6" \
      --with-debugging=1

The use of the --prefix option can be a little tricky. Before configuring, make sure that the directory corresponding to the PETSC_ARCH variable has been removed from the directory (this is different from the install directory and should be directly under the top level PETSc directory). After running configure, the configure script will print out a message

   xxx=========================================================================xxx
     Configure stage complete. Now build PETSc libraries with (gnumake build):
      make PETSC_DIR=/home/palmer/software/petsc-3.7.6 PETSC_ARCH=arch-linux2-complex-opt all
   xxx=========================================================================xxx

Users can cut-and-paste the make command and run it on the command prompt. If this command is successful, just keep following instructions from the PETSc build for the next step. The commands that need to be executed are

   make PETSC_DIR=/home/palmer/software/petsc-3.7.6 PETSC_ARCH=arch-linux2-complex-opt all
   make PETSC_DIR=/home/palmer/software/petsc-3.7.6 PETSC_ARCH=arch-linux2-complex-opt install

Once these commands are completed, there should be a petsc-3.7.6 directory under your PREFIX directory.

Building ParMETIS

It's easiest to include ParMETIS in the PETSc build. The GridPACK configuration will recognize and use ParMETIS from the PETSc installation. However, if you want to build ParMETIS separately, instructions are below.

In order to get ParMETIS 4.0 to compile with older GNU compilers, a warning option needs to be removed from one of the build system files. In the top ParMETIS source directory, execute the following command:

   sed -i.org -e 's/-Wno-unused-but-set-variable//g' metis/GKlib/GKlibSystem.cmake

Starting in the ParMETIS source directory, build and install METIS first:

   cd metis
   make config prefix="$PREFIX"
   make
   make install

then build and install ParMETIS:

   cd ..
   make config cc=mpicc cxx=mpicxx prefix="$PREFIX"
   make 
   make install

Do some tests to make sure it works:

   cd Graphs
   mpirun -np 4 ptest rotor.graph rotor.graph.xyz
   mpirun -np 4 ptest rotor.graph
   mpirun -np 8 ptest bricks.hex3d

The last test appears to hang but does not to otherwise cause any problems.

Building Global Arrays

Download GA into a directory GA_HOME. This configuration command should work for both GNU and Intel compilers if you have the CC, CXX, FC, F77 environment variables set.

   cd $(GA_HOME)
   ./configure --with-mpi-ts --disable-f77 --without-blas --enable-cxx --enable-i4 --prefix=$(GA_HOME)
   make
   make install

Building GridPACK

It is a good idea to build GridPACK in a separate directory. The example below assumes that a build directory has been created under $GRIDPACK/src and that you have cd'd into this directory.

   $prefix/bin/cmake -Wno-dev \
       -D BOOST_ROOT:STRING='/net/flophouse/files0/perksoft/boost-1.53.0' \
       -D PETSC_DIR:STRING='/net/flophouse/files0/perksoft/petsc-3.3-p3' \
       -D PETSC_ARCH:STRING='arch-linux2-cxx-opt' \
       -D PARMETIS_DIR:STRING='/net/flophouse/files0/perksoft/parmetis-4.0' \
       -D GA_DIR:STRING='/net/flophouse/files0/perksoft/ga-5-2' \
       -D MPI_CXX_COMPILER:STRING="$prefix/bin/mpicxx" \
       -D MPI_C_COMPILER:STRING="$prefix/bin/mpicc" \
       -D MPIEXEC:STRING="$prefix/bin/mpiexec" \
       -D CMAKE_BUILD_TYPE:STRING="Debug" \
       -D CMAKE_VERBOSE_MAKEFILE:BOOL=TRUE \
       ..