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MUMPS at Rackham (spack)

Version: 2022.08.11

Installation

1. Start interactive session on Rackham

Adapt the parameters to fit your project.

interactive -A project -n 4 -t 4:00:00

2. Spack installation and setup

# Load modules
#module load git/2.34 gcc/9.3.0   5) openmpi/3.1.5 perl/5.26.2
module load git/2.34.1 gcc/11.2.0 openmpi/4.1.2 perl/5.26.2


# Chose project folder
cd /crex/project/project_folder

# Install spack https://spack-tutorial.readthedocs.io/en/latest/tutorial_basics.html#basics-tutorial
git clone -c feature.manyFiles=true https://github.com/spack/spack.git
# Load spack
source spack/share/spack/setup-env.sh

# Add gcc@11.2.0 to spack
spack compiler find
# Add openmpi and perl to spack
spack external find openmpi perl

3. MUMPS setup in spack enviroment

# Create spack envioment
spack env create mumps

# Activate enviroment
spack env activate mumps

# Optional: check what packages will be installed
spack spec -I mumps+parmetis+ptscotch+scotch~shared %gcc@11.2.0 ^perl@5.26.2

# Install MUMPS with +parmetis+ptscotch+scotch and static libraries ~shared
spack install mumps+parmetis+ptscotch+scotch~shared %gcc@11.2.0 ^perl@5.26.2

# Optional: clean a bit after the installation
spack gc

Installation will take some time to compile
At this time, the latest available version in spack is 5.4.1.

Load the environment

# Load spack in new sessions
source /crex/proj/project_folder/spack/share/spack/setup-env.sh

# Activate mumps spack environment
spack env activate -p mumps

# run or compile
...

Checks

$ echo $LD_LIBRARY_PATH
# check if you find the libraries in the path
$ echo $PKG_CONFIG_PATH

# check what is installed and available
$ spack find
==> 15 installed packages
-- linux-centos7-broadwell / gcc@11.2.0 -------------------------
bzip2@1.0.8   libiconv@1.16   metis@5.1.0  ncurses@6.2             openblas@0.3.20  parmetis@4.0.3  tar@1.34  zlib@1.2.11
gettext@0.21  libxml2@2.9.12  mumps@5.4.1  netlib-scalapack@2.2.0  openmpi@4.1.2    scotch@7.0.1    xz@5.2.5

# Find the location of a package
$ spack find -pl mumps

# To get more details and variants
$ spack find -vpl  mumps
==> 2 installed packages
-- linux-ubuntu20.04-skylake / gcc@9.4.0 ------------------------
knqcdzl mumps@5.4.1~blr_mt+complex+double+float~incfort~int64+metis+mpi+openmp+parmetis+ptscotch+scotch+shared patches=1946864  /home/USER/spack/opt/spack/linux-ubuntu20.04-skylake/gcc-9.4.0/mumps-5.4.1-knqcdzl44de5bhbtqt3ur7odq4cenxaz
kx3ym5y mumps@5.4.1~blr_mt+complex+double+float~incfort~int64+metis+mpi+openmp+parmetis+ptscotch+scotch~shared                  /home/USER/spack/opt/spack/linux-ubuntu20.04-skylake/gcc-9.4.0/mumps-5.4.1-kx3ym5ycbwq6ihxtljhv7tdgiocxdajp

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tags: UPPMAX, SNIC, MUMPS
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