Manual Installation GCC/MPICH

Minimum System Requirements

In general, the following is required for MOOSE-based development:

  • C++11 compliant compiler (GCC 4.8.4, Clang 3.4.0, and Intel 2017 or greater)

    • (included in any of our redistributable packages if you choose to install one)

  • Memory: 16 GBs (debug builds)

  • Processor: 64-bit x86

  • Disk: 30GB

Prerequisites

  • Cmake 3.4 or greater will be needed for building some of the optional packages distributed with PETSc that MOOSE requires. Unless your system is very old, one should be able to use their system's package manager (apt-get, yum, zypper, etc) to install a compatible version of Cmake. For older systems, you will need to obtain cmake source from http://www.cmake.org, and build it appropriately for your system.

  • A sane environment. This means having a clean, nothing but the bare minimum as far as available libraries go in your running environment. No additional LD_LIBRARY_PATHs, or other extra PATHs set. No strange UMASK settings. No odd aliases. This is such an important step, that we advise if possible, to create a separate account strictly for the use of these instructions. This document assumes an account called 'moose' has been created and is the account currently in use.

Environment

Lets try to make our environment as sane as possible, while setting up all the locations we will need.


module purge   #(may fail with command not found)
unset LD_LIBRARY_PATH
unset CPLUS_INCLUDE_PATH
unset C_INCLUDE_PATH
export PACKAGES_DIR=/some/path/with/write/access
export STACK_SRC=`mktemp -d /tmp/moose_stack_src.XXXXXX`
umask 022
note

What ever terminal window you were in, when you performed the above commands, you _MUST_ use that same window, for the remainder of these instructions. If this window is closed, or the machine is rebooted, it will be necessary to perform the above commands again, before continuing any step. You will also _need_ to perform any exports in any previous steps you continued from.

Create the target installation location:


mkdir -p $PACKAGES_DIR

GCC

We need a modern C++11 capable compiler. Our minimum requirements are: GCC 4.8.4, Clang 3.4.0, and Intel 2017. This section will focus on building a GCC 7.3.0 compiler stack.

What version of GCC do we have?


gcc --version

gcc (GCC) 4.8.5 20150623 (Red Hat 4.8.5-4)
Copyright (C) 2015 Free Software Foundation, Inc.
This is free software; see the source for copying conditions.  There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.

If your version is less than 4.8.4, you will need to build a newer version. If your version is at or greater than 4.8.4, you have the option of skipping the GCC section.

cd $STACK_SRC
curl -L -O http://mirrors.concertpass.com/gcc/releases/gcc-7.3.0/gcc-7.3.0.tar.gz
tar -xf gcc-7.3.0.tar.gz -C .

Obtain GCC pre-reqs:

cd $STACK_SRC/gcc-7.3.0
./contrib/download_prerequisites

Configure, build and install GCC:

mkdir $STACK_SRC/gcc-build
cd $STACK_SRC/gcc-build

../gcc-7.3.0/configure --prefix=$PACKAGES_DIR/gcc-7.3.0 \
--disable-multilib \
--enable-languages=c,c++,fortran,jit \
--enable-checking=release \
--enable-host-shared \
--with-pic

make -j #   (where # is the number of cores available)

make install

Any errors during configure/make will need to be investigated on your own. Every operating system I have come across has its own nuances of getting stuff built. Normally any issues are going to be solved by installing the necessary development libraries using your system package manager (apt-get, yum, zypper, etc). Hint: I would search the internet for 'how to build GCC 7.3.0 on (insert the name/version of your operating system here)'

note

In order to utilize our newly built GCC 7.3.0 compiler, we need to set some variables:

export PATH=$PACKAGES_DIR/gcc-7.3.0/bin:$PATH
export LD_LIBRARY_PATH=$PACKAGES_DIR/gcc-7.3.0/lib64:$PACKAGES_DIR/gcc-7.3.0/lib:$PACKAGES_DIR/gcc-7.3.0/lib/gcc/x86_64-unknown-linux-gnu/7.3.0:$PACKAGES_DIR/gcc-7.3.0/libexec/gcc/x86_64-unknown-linux-gnu/7.3.0:$LD_LIBRARY_PATH

MPICH

Download MPICH 3.2

cd $STACK_SRC
curl -L -O http://www.mpich.org/static/downloads/3.2/mpich-3.2.tar.gz
tar -xf mpich-3.2.tar.gz -C .

Now we create an out-of-tree build location, configure, build, and install it

mkdir $STACK_SRC/mpich-3.2/gcc-build
cd $STACK_SRC/mpich-3.2/gcc-build

../configure --prefix=$PACKAGES_DIR/mpich-3.2 \
--enable-shared \
--enable-sharedlibs=gcc \
--enable-fast=03 \
--enable-debuginfo \
--enable-totalview \
--enable-two-level-namespace \
CC=gcc \
CXX=g++ \
FC=gfortran \
F77=gfortran \
F90='' \
CFLAGS='' \
CXXFLAGS='' \
FFLAGS='' \
FCFLAGS='' \
F90FLAGS='' \
F77FLAGS=''

make -j # (where # is the number of cores available)

make install
note

In order to utilize our newly built MPI wrapper, we need to set some variables:

export PATH=$PACKAGES_DIR/mpich-3.2/bin:$PATH
export CC=mpicc
export CXX=mpicxx
export FC=mpif90
export F90=mpif90
export C_INCLUDE_PATH=$PACKAGES_DIR/mpich-3.2/include:$C_INCLUDE_PATH
export CPLUS_INCLUDE_PATH=$PACKAGES_DIR/mpich-3.2/include:$CPLUS_INCLUDE_PATH
export FPATH=$PACKAGES_DIR/mpich-3.2/include:$FPATH
export MANPATH=$PACKAGES_DIR/mpich-3.2/share/man:$MANPATH
export LD_LIBRARY_PATH=$PACKAGES_DIR/mpich-3.2/lib:$LD_LIBRARY_PATH

PETSc

Download PETSc 3.8.3

cd $STACK_SRC
curl -L -O http://ftp.mcs.anl.gov/pub/petsc/release-snapshots/petsc-3.8.3.tar.gz
tar -xf petsc-3.8.3.tar.gz -C .

Now we configure, build, and install it

cd $STACK_SRC/petsc-3.8.3

./configure \
--prefix=$PACKAGES_DIR/petsc-3.8.3 \
--download-hypre=1 \
--with-ssl=0 \
--with-debugging=no \
--with-pic=1 \
--with-shared-libraries=1 \
--with-cc=mpicc \
--with-cxx=mpicxx \
--with-fc=mpif90 \
--download-fblaslapack=1 \
--download-metis=1 \
--download-parmetis=1 \
--download-superlu_dist=1 \
--download-mumps=1 \
--download-scalapack=1 \
--CC=mpicc --CXX=mpicxx --FC=mpif90 --F77=mpif77 --F90=mpif90 \
--CFLAGS='-fPIC -fopenmp' \
--CXXFLAGS='-fPIC -fopenmp' \
--FFLAGS='-fPIC -fopenmp' \
--FCFLAGS='-fPIC -fopenmp' \
--F90FLAGS='-fPIC -fopenmp' \
--F77FLAGS='-fPIC -fopenmp' \
PETSC_DIR=`pwd`

Once configure is done, we build PETSc

make PETSC_DIR=$STACK_SRC/petsc-3.8.3 PETSC_ARCH=arch-linux2-c-opt all

Everything good so far? PETSc should be asking to run more make commands

make PETSC_DIR=$STACK_SRC/petsc-3.8.3 PETSC_ARCH=arch-linux2-c-opt install

And now after the install, we can run some built-in tests

make PETSC_DIR=$PACKAGES_DIR/petsc-3.8.3 PETSC_ARCH="" test

Running the tests should produce some output like the following:

[moose@centos-7 petsc-3.8.3]$ make PETSC_DIR=$PACKAGES_DIR/petsc-3.8.3 PETSC_ARCH="" test
Running test examples to verify correct installation
Using PETSC_DIR=/opt/moose/petsc-3.8.3 and PETSC_ARCH=
C/C++ example src/snes/examples/tutorials/ex19 run successfully with 1 MPI process
C/C++ example src/snes/examples/tutorials/ex19 run successfully with 2 MPI processes
Fortran example src/snes/examples/tutorials/ex5f run successfully with 1 MPI process
Completed test examples
=========================================

Miniconda

Peacock (an optional MOOSE GUI frontend) uses many libraries. The easiest way to obtain these libraries, is to install miniconda, along with several miniconda/pip packages.

cd $STACK_SRC
curl -L -O https://repo.continuum.io/miniconda/Miniconda2-latest-Linux-x86_64.sh
sh Miniconda2-latest-Linux-x86_64.sh -b -p $PACKAGES_DIR/miniconda

PATH=$PACKAGES_DIR/miniconda/bin:$PATH conda config --set ssl_verify false
PATH=$PACKAGES_DIR/miniconda/bin:$PATH conda install -c idaholab python=2.7 coverage \
reportlab \
mako \
numpy \
scipy \
scikit-learn \
h5py \
hdf5 \
scikit-image \
requests \
vtk=7.1.0 \
pyyaml \
matplotlib \
pip \
lxml \
pyflakes \
pandas \
conda-build \
mock \
yaml \
pyqt \
swig --yes
note

Peacock (as well as the TestHarness sytem in MOOSE), does not work with Python3. Please chose Miniconda2 for Python 2.7 instead.

Next, we need to use pip to install additional libraries not supplied by conda:

PATH=$PACKAGES_DIR/miniconda/bin:$PATH pip install --no-cache-dir pybtex livereload==2.5.1 daemonlite pylint==1.6.5 lxml pylatexenc anytree

bash_profile

Now that everything has been installed, its time to wrap all these environment variables up, and throw them in a bash shell profile somewhere.

Append the following contents into a new file called moose-environment.sh:

#!/bin/bash
### MOOSE Environment Profile
# GCC 7.3.0
# MPICH 3.2
# PETSc 3.8.3

export PACKAGES_DIR=<what ever you exported initially during the Environment setup>

export PATH=$PACKAGES_DIR/gcc-7.3.0/bin:$PACKAGES_DIR/mpich-3.2/bin:$PACKAGES_DIR/miniconda/bin:$PATH
export LD_LIBRARY_PATH=$PACKAGES_DIR/gcc-7.3.0/lib64:$PACKAGES_DIR/gcc-7.3.0/lib:$PACKAGES_DIR/gcc-7.3.0/lib/gcc/x86_64-unknown-linux-gnu/7.3.0:$PACKAGES_DIR/gcc-7.3.0/libexec/gcc/x86_64-unknown-linux-gnu/7.3.0:$PACKAGES_DIR/mpich-3.2/lib:$LD_LIBRARY_PATH
export C_INCLUDE_PATH=$PACKAGES_DIR/mpich-3.2/include:$C_INCLUDE_PATH
export CPLUS_INCLUDE_PATH=$PACKAGES_DIR/mpich-3.2/include:$CPLUS_INCLUDE_PATH
export FPATH=$PACKAGES_DIR/mpich-3.2/include:$FPATH
export MANPATH=$PACKAGES_DIR/mpich-3.2/share/man:$MANPATH
export PETSC_DIR=$PACKAGES_DIR/petsc-3.8.3
export CC=mpicc
export CXX=mpicxx
export FC=mpif90
export F90=mpif90

Thats it! Now you can either source this file manually each time you need to work on a MOOSE based application:


source /path/to/moose-environment.sh

Or you can permanently have it loaded each time you open a terminal by adding the above source command in your ~/.bash_profile (or ~/.bashrc which ever your system uses).

Once the above is complete, you can proceed to Obtaining and Building MOOSE.

Cleanup

Whith everything finished, it is now safe to remove the temporary directory containing our source:


rm -rf $STACK_SRC