1. Introduction

• On the supercomputer Fugaku, open-source software packages (OSSs) are managed and provided with a package management tool Spack.

• Spack is adopted by the Exascale Computing Project (ECP) in U.S. For more details of Spack, please refer to the following URL:

  https://spack.readthedocs.io

  The current version of Spack on Fugaku is 0.21.0. The previous versions (0.17.0 and 0.19.0) are still available.

• The list of OSS which can be built on Fugaku by Spack is in the following URL:

  https://spack-mirror.r-ccs.riken.jp/oss/public/

  Note that the list does not reflect the latest status in the current environment of Fugaku.

• The usage explained in this document might be changed.

• Any of the OSSs might be replaced because of the upgrade of them or any other reasons.

• OSSs on Fugaku are not supported and we cannot accept questions or requests about their usage, problems, etc. in principle. It is users’ responsibility to follow the license of each OSS.

2. Usage of OSSs

To use an OSS on a login node, run the commands below on the terminal of it. To use an OSS on a compute node, put the commands in a job script or run them in the terminal of an interactive job.

For more detailed usage of Spack on Fugaku, refer to Spack User’s Guide for Fugaku.

• Setup Spack

  $ . /vol0004/apps/oss/spack/share/spack/setup-env.sh
  

• List installed packages

The spack find command lists installed packages. In the example below, the packages in the linux-rhel8-a64fx section is compute nodes, and linux-rhel7-cascadelake and linux-rhel8-skylake_avx512 for login nodes.

$ spack find
...
-- linux-rhel8-a64fx / fj@4.8.1 ---------------------------------
adios2@2.8.3           ncurses@6.3                     py-pip@22.2.2
akaikkr@2002v010       netcdf-c@4.9.0                  py-pluggy@1.0.0
...
-- linux-rhel8-cascadelake / gcc@12.2.0 -------------------------
boost@1.80.0                  libevent@2.1.8       libxpm@3.5.12         python@3.10.8
bzip2@1.0.6                   libffi@3.1           libxrender@0.9.10     python@3.10.8
...
==> 519 installed packages

• Load a package

  The spack load command activates the specified package.

  (Example) load openblas:

  $ spack load openblas
  

• Unload a package

  The spack unload command deactivates the specified package.

  (Example) unload openblas:

  $ spack unload openblas
  

3. Current Status

The following OSSs are available at April 25th, 2024. We will make more OSSs available on Fugaku. For the status of the previous version 0.19.0 (0.17.0), see Spack v0.19.0 (Spack v0.17.0).

Note: Many other OSSs on which the followings are dependent are also installed.

3.1. Packages installed on the login nodes

Name	Version	Compiler	Remarks
boost	1.83.0	gcc@13.2.0
cmake	3.27.7	gcc@13.2.0
darshan-util	3.4.4	gcc@13.2.0
global	6.6.7	gcc@13.2.0
gmt	6.2.0	gcc@13.2.0
gnuplot	5.4.3	gcc@13.2.0
hdf5	1.14.3	gcc@13.2.0
imagemagick	7.1.1-11	gcc@13.2.0
libxml2	2.9.7	gcc@13.2.0
llvm	17.0.4	gcc@13.2.0
mercurial	6.4.5	gcc@13.2.0
mesa	23.0.3	gcc@13.2.0
ncview	2.1.9	gcc@13.2.0
netcdf-c	4.9.2	gcc@13.2.0
netcdf-fortran	4.6.1	gcc@13.2.0
openfoam	2306	gcc@13.2.0
openfoam	2312	gcc@13.2.0
openfoam-org	10	gcc@13.2.0
openfoam-org	11	gcc@13.2.0
openjdk	11.0.20.1_1	gcc@13.2.0
paraview	5.11.2	gcc@13.2.0
py-pip	23.1.2	gcc@13.2.0
python	3.11.6	gcc@13.2.0
screen	4.9.1	gcc@13.2.0
tmux	3.3a	gcc@13.2.0
xterm	353	gcc@13.2.0
zsh	5.8	gcc@13.2.0
gcc	13.2.0	gcc@8.5.0
hdf5	1.12.2	gcc@8.5.0
omni-compiler	1.3.3	gcc@8.5.0
openfoam	2012	gcc@8.5.0
openfoam	2106	gcc@8.5.0
openfoam	2112	gcc@8.5.0
openfoam	2206	gcc@8.5.0
openfoam	2212	gcc@8.5.0
openfoam-org	8	gcc@8.5.0
openfoam-org	9	gcc@8.5.0
openmpi	3.1.6	gcc@8.5.0
py-mpi4py	3.1.4	gcc@8.5.0
py-phonopy	2.12.0	gcc@8.5.0
py-phonopy	2.20.0	gcc@8.5.0

3.2. Packages installed on the compute nodes

Name	Version	Compiler	Remarks
abinitmp	1-22	fj@4.11.1
abinitmp	2-4	fj@4.11.1
abinitmp	2-8	fj@4.11.1
adios2	2.9.2	fj@4.10.0
akaikkr	2002v010	fj@4.10.0
akaikkr	2021v001	fj@4.10.0
akaikkr	2021v002	fj@4.10.0
alamode	1.3.0	fj@4.10.0
alamode	1.4.2	fj@4.10.0
alamode	1.5.0	fj@4.10.0
batchedblas	1.0	fj@4.10.0
bcftools	1.12	fj@4.10.0
bedtools2	2.31.0	fj@4.10.0
biobambam2	2.0.177	fj@4.10.0
blitz	1.0.2	fj@4.10.0
boost	1.83.0	fj@4.10.0
boost	1.85.0	fj@4.10.0
bwa	0.7.17	fj@4.10.0
cbc	2.10.9	fj@4.11.1
cblas	2015-06-06	fj@4.10.0
cmake	3.17.1	fj@4.10.0
cmake	3.21.4	fj@4.10.0
cmake	3.27.7	fj@4.10.0
cp2k	2023.1	fj@4.10.0	smm=libxsmm
cp2k	2023.1	fj@4.10.0	smm=blas
cp2k	2023.1	fj@4.10.0	smm=libsmm
cpmd	4.3	fj@4.10.0	~mpi~omp
cpmd	4.3	fj@4.11.1	+mpi+omp
darshan-runtime	3.4.0	fj@4.10.0
dssp	3.1.4	fj@4.10.0
eigen	3.4.0	fj@4.10.0
eigenexa	2.6	fj@4.10.0
ermod	0.3.6	fj@4.10.0
fds	6.7.9	fj@4.10.0
fds	6.8.0	fj@4.10.0
ffb	9.0	fj@4.10.0
ffvhc-ace	0.1	fj@4.8.1
ffx	03.01	fj@4.10.0
frontistr	5.4	fj@4.10.0
frontistr	5.5	fj@4.10.0
fugaku-frontistr	master	fj@4.10.0
fujitsu-fftw	1.1.0	fj@4.10.0
fujitsu-mpi	head	fj@4.10.0
fujitsu-mpi	head	gcc@8.5.0
fujitsu-ssl2	head	fj@4.10.0
gcc	10.5.0	gcc@8.5.0
gcc	11.4.0	gcc@8.5.0
gcc	12.2.0	gcc@8.5.0
gcc	13.2.0	gcc@8.5.0
genesis	2.1.1	fj@4.10.0	+mixed
genesis	2.1.1	fj@4.10.0	~mixed
genesis	2.1.2	fj@4.10.0	+mixed
genesis	2.1.2	fj@4.10.0	~mixed
genesis	2.1.3	fj@4.11.1	~mixed
genesis	2.1.3	fj@4.11.1	+mixed
genesis	2.1.4	fj@4.11.1	+mixed
genesis	2.1.4	fj@4.11.1	~mixed
gmt	6.2.0	fj@4.10.0
gmt	6.2.0	gcc@8.5.0
grads	2.2.3	fj@4.10.0
gromacs	2020.6	fj@4.10.0
gromacs	2021.5	fj@4.10.0
gromacs	2022.4	fj@4.10.0
gromacs	2022.4	fj@4.11.1
gromacs	2023.4	fj@4.10.0
gromacs	2023.5	fj@4.11.1
gromacs	2024.1	fj@4.10.0
gromacs	2024.2	fj@4.11.1
gromacs	2024	fj@4.10.0
hdf5	1.14.3	fj@4.10.0
hphi	3.5.1	fj@4.10.0
htslib	1.12	fj@4.10.0
improved-rdock	main	fj@4.10.0
julia	1.10.2	gcc@13.2.0
julia	1.9.3	gcc@13.2.0
kiertaa	1.0.0b	fj@4.10.0
kokkos	3.7.00	fj@4.10.0
kokkos	4.2.01	fj@4.10.0
lammps	20201029	fj@4.10.0
lammps	20220623.2	fj@4.10.0
lammps	20230802.3	fj@4.10.0
libxc	6.2.2	fj@4.10.0
lis	2.1.1	fj@4.10.0
llvm	17.0.4	gcc@8.5.0
mapsplice2	2.2.1	fj@4.10.0
mesa	23.0.3	fj@4.10.0
modylas-new	1.1.0	fj@4.10.0	ff=gaff
modylas-new	1.1.0	fj@4.10.0	ff=charmm
modylas-new	1.1.0	fj@4.10.0	ff=oplsaa
mpich-tofu	1.0	gcc@8.5.0	~mt
mpich-tofu	1.0	gcc@8.5.0	+mt
mpich-tofu	master	gcc@8.5.0	~mt
mpich-tofu	master	gcc@8.5.0	+mt
mptensor	0.3.0	fj@4.10.0
mvmc	1.2.0	fj@4.10.0
n2p2	2.1.4	fj@4.10.0
nemo	4.2.0	fj@4.10.0
netcdf-c	4.9.2	fj@4.10.0
netcdf-cxx	4.2	fj@4.10.0
netcdf-cxx4	4.3.1	fj@4.10.0
netcdf-fortran	4.6.1	fj@4.10.0
netlib-lapack	3.10.1	fj@4.10.0
netlib-scalapack	2.2.0	fj@4.10.0
ntchem	24.04	fj@4.11.1
nwchem	master	fj@4.10.0
octa	8.4	fj@4.10.0
onednn	3.0	fj@4.10.0
openblas	0.3.21	fj@4.10.0
opencv	4.8.0	fj@4.10.0
openfdtd	3.1.1	fj@4.10.0
openfoam	2012	fj@4.10.0
openfoam	2106	fj@4.10.0
openfoam	2112	fj@4.10.0
openfoam	2206	fj@4.10.0
openfoam	2212	fj@4.10.0
openfoam	2306	fj@4.10.0
openfoam	2312	fj@4.10.0
openfoam-org	10	fj@4.10.0
openfoam-org	11	fj@4.10.0
openfoam-org	8	fj@4.10.0
openfoam-org	9	fj@4.10.0
openjdk	11.0.20.1_1	fj@4.10.0
openmx	3.9.9	fj@4.10.0
parallel-netcdf	1.12.3	fj@4.10.0
paraview	5.11.2	fj@4.10.0	~osmesa+python
paraview	5.11.2	fj@4.10.0	+osmesa~python
paraview	5.11.2	fj@4.10.0	+osmesa+python
parmetis	4.0.3	fj@4.10.0
petsc	3.19.6	fj@4.10.0
pfapack	2014-09-17	fj@4.10.0
phase0	2021.02	fj@4.10.0	type=2d
phase0	2021.02	fj@4.10.0	type=3d
phase0	2023.01	fj@4.10.0	type=2d
phase0	2023.01	fj@4.10.0	type=3d
picard	3.0.0	fj@4.10.0
povray	3.7.0.8	fj@4.10.0
py-ase	3.21.1	fj@4.10.0
py-dask	2022.10.2	fj@4.10.0
py-devito	4.8.1	fj@4.10.0
py-h5py	3.8.0	fj@4.10.0
py-hypothesis	6.23.1	fj@4.10.0
py-jupyterhub	0.9.4	fj@4.10.0
py-keras	2.4.3	fj@4.10.0
py-matplotlib	3.3.4	fj@4.10.0
py-mpi4py	3.1.4	fj@4.10.0
py-netcdf4	1.6.2	fj@4.10.0
py-numpy	1.25.2	fj@4.10.0
py-pandas	2.1.2	fj@4.10.0
py-pydmd	0.3	fj@4.10.0
py-pygps	1.3.5	fj@4.10.0
py-pymol	2.5.0	fj@4.10.0
py-pysam	0.21.0	fj@4.10.0
py-pytest	7.3.2	fj@4.10.0
py-pytoml	0.1.21	fj@4.10.0
py-scikit-learn	1.3.2	fj@4.10.0
py-scipy	1.8.1	fj@4.10.0
py-seaborn	0.12.2	fj@4.10.0
py-spglib	2.0.2	fj@4.10.0
python	3.11.6	fj@4.10.0
py-toml	0.10.2	fj@4.10.0
py-xarray	2023.7.0	fj@4.10.0
quantum-espresso	6.5	fj@4.10.0
quantum-espresso	6.6	fj@4.10.0
quantum-espresso	6.7	fj@4.10.0
quantum-espresso	6.8	fj@4.10.0
quantum-espresso	7.0	fj@4.10.0
quantum-espresso	7.1	fj@4.10.0
quantum-espresso	7.2	fj@4.10.0
quantum-espresso	7.3	fj@4.10.0
r	4.3.0	fj@4.10.0
raja	2022.10.4	fj@4.10.0
rdkit	2023_03_1	fj@4.10.0
rist-fftw	3.3.9-272-g63d6bd70	fj@4.11.1
ruby	3.1.0	fj@4.10.0
rust	1.70.0	gcc@13.2.0
rust	1.78.0	gcc@13.2.0
salmon-tddft	2.0.2	fj@4.10.0
salmon-tddft	2.1.0	fj@4.10.0
salmon-tddft	2.2.0	fj@4.10.0
samtools	1.12	fj@4.10.0
scale	5.5.1	fj@4.10.0
scale	5.5.2	fj@4.10.0
screen	4.9.1	fj@4.10.0
scsumma25d	1.0a	fj@4.10.0
siesta	4.0.2	fj@4.10.0
siesta-relmax3	rel-MaX-3	fj@4.10.0
smash	3.0.0	fj@4.10.0
smash	3.0.2	fj@4.10.0
star	2.7.10b	fj@4.10.0
suite-sparse	5.13.0	fj@4.10.0
tmux	3.3a	fj@4.10.0
wrf	4.5.1	fj@4.10.0
zpares	0.9.6a	fj@4.10.0