5. Spack v0.17.0¶
5.1. Packages installed on the login nodes¶
Name |
Version |
License |
Make check result |
Compiler |
Remarks |
Last update |
cmake |
3.21.4 |
N/A |
gcc@11.2.0 |
2021/12/16 |
||
gcc |
11.2.0 |
N/A |
gcc@8.4.1 |
2021/12/16 |
||
git-lfs |
2.11.0 |
N/A |
gcc@11.2.0 |
2022/9/27 |
||
gmt |
6.2.0 |
N/A |
gcc@11.2.0 |
2022/8/15 |
||
hdf5 |
1.10.7 |
N/A |
gcc@11.2.0 |
2021/12/16 |
||
imagemagick |
7.0.8-7 |
N/A |
gcc@8.4.1 |
2022/1/31 |
||
llvm |
12.0.1 |
N/A |
gcc@8.4.1 |
2021/12/17 |
||
mercurial |
5.8 |
N/A |
gcc@11.2.0 |
2021/12/16 |
||
mesa |
21.2.3 |
N/A |
gcc@8.4.1 |
2021/12/17 |
||
ncview |
2.1.8 |
N/A |
gcc@11.2.0 |
2021/12/16 |
||
netcdf-c |
4.8.1 |
N/A |
gcc@11.2.0 |
2021/12/16 |
||
netcdf-fortran |
4.5.3 |
N/A |
gcc@11.2.0 |
2021/12/17 |
||
omni-compiler |
1.3.3 |
N/A |
gcc@8.4.1 |
2021/12/16 |
||
openjdk |
11.0.12_7 |
N/A |
gcc@11.2.0 |
2021/12/16 |
||
paraview |
5.9.1 |
N/A |
gcc@8.4.1 |
2021/12/17 |
||
py-pip |
21.1.2 |
N/A |
gcc@11.2.0 |
2021/12/16 |
||
python |
3.8.12 |
N/A |
gcc@11.2.0 |
2021/12/16 |
||
screen |
4.8.0 |
N/A |
gcc@11.2.0 |
2021/12/16 |
||
tmux |
3.2a |
N/A |
gcc@11.2.0 |
2021/12/16 |
||
xterm |
353 |
N/A |
gcc@11.2.0 |
2021/12/16 |
5.2. Packages installed on the compute nodes¶
Name |
Version |
License |
Make check result |
Compiler |
Remarks |
Last update |
abinit |
8.10.2 |
N/A |
fj@4.8.0 |
2022/4/20 |
||
adios2 |
2.7.1 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
alps |
- |
|||||
batchedblas |
1.0 |
N/A |
fj@4.8.0 |
2022/4/20 |
||
bcftools |
1.12 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
bedtools2 |
2.30.0 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
biobambbam2 |
2.0.177 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
blitz |
1.0.1 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
boost |
1.77.0 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
bwa |
0.7.17 |
N/A |
fj@4.7.0 |
2022/1/31 |
||
cblas |
2015-06-06 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
cmake |
3.21.4 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
cp2k |
7.1 / 9.1 |
N/A |
fj@4.8.0 |
2022/7/4 |
||
dssp |
3.1.4 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
eigenexa |
2.6 |
N/A |
fj@4.7.0 |
2021/10/20 |
||
fujitsu-fftw |
1.1.0 |
N/A |
fj@4.8.0 |
Optimized for A64FX / Based on FFTW 3.3.10 |
2022/4/20 |
|
fujitsu-frontistr |
5.0 |
N/A |
fj@4.8.0 |
Optimized for A64FX |
2022/4/20 |
|
fujitsu-mpi |
head |
N/A |
fj@4.7.0 / gcc@8.4.1 / gcc@11.2.0 |
2021/12/16 |
||
fujitsu-ssl2 |
head |
N/A |
fj@4.7.0 |
2021/12/16 |
||
gcc |
11.2.0 |
N/A |
gcc@8.4.1 |
2021/12/16 |
||
genesis |
1.5.1 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
gmt |
6.2.0 |
N/A |
fj@4.8.0 |
2022/8/15 |
||
grads |
2.2.1 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
gromacs |
2021.4 |
N/A |
fj@4.7.0 |
*1 |
2021/12/16 |
|
h5z-zfp |
1.0.1 |
N/A |
fj@4.8.0 |
2022/4/20 |
||
hdf5 |
1.10.7 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
htslib |
1.12 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
improved-rdock |
main |
N/A |
fj@4.8.0 |
|||
julia |
1.6.3 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
kokkos |
3.4.01 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
lammps |
20201029 |
N/A |
fj@4.7.0 |
+user-omp / 64-bit integer *1 |
2021/12/16 |
|
lis |
2.0.27 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
llvm |
12.0.1 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
mapsplice2 |
2.2.1 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
mesa |
21.2.3 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
metis |
4.0.3 / 5.1.0 |
N/A |
fj@4.7.0 |
2022/8/15 |
||
mpich-tofu |
master |
N/A |
fj@4.7.0 / gcc@8.4.1 |
~mt (single thread) / +mt (multi thread) |
2021/12/16 |
|
mptensor |
0.3.0 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
n2p2 |
2.1.4 |
N/A |
fj@4.7.0 |
OpenMP supported |
2021/12/16 |
|
namd |
- |
N/A |
- |
*3 |
2022/4/20 |
|
netcdf-c |
4.8.1 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
netcdf-cxx |
4.2 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
netcdf-cxx4 |
4.3.1 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
netcdf-fortran |
4.5.3 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
netlib-lapack |
3.9.1 |
N/A |
fj@4.7.0 |
2022/1/31 |
||
netlib-scalapack |
2.1.0 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
nwchem |
master (7.0.2) |
N/A |
fj@4.8.0 |
2022/8/15 |
||
octa |
8.4 |
N/A |
fj@4.8.0 |
2022/4/20 |
||
onednn |
2.5.2 |
N/A |
fj@4.8.0 |
2022/4/20 |
||
openblas |
0.3.18 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
openfdtd |
2.6.0 |
N/A |
fj@4.8.0 |
Optimized for A64FX |
2022/4/20 |
|
openfoam |
2012 / 2106 |
N/A |
fj@4.8.0 |
*1 *2 |
2022/8/15 |
|
openfoam-org |
8 |
N/A |
fj@4.8.0 |
*1 *2 |
2022/8/15 |
|
openjdk |
11.0.12_7 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
openmx |
3.8 |
N/A |
fj@4.7.0 |
2022/1/31 |
||
parallel-netcdf |
1.12.2 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
paraview |
5.9.1 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
parmetis |
4.0.3 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
petsc |
3.16.1 |
N/A |
fj@4.7.0 |
2021/12/27 |
||
pfapack |
2014-09-17 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
picard |
2.26.2 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
povray |
3.7.0.8 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
process-in-process |
- |
|||||
py-ase |
3.21.1 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
py-dask |
2.16.0 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
py-h5py |
3.4.0 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
py-horovod |
0.23.0 |
N/A |
fj@4.8.0 |
2022/4/20 |
||
py-jupyterhub |
0.9.4 |
N/A |
fj@4.7.0 |
2022/1/31 |
||
py-keras |
2.4.3 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
py-matplotlib |
3.4.3 |
N/A |
fj@4.7.0 |
2022/1/31 |
||
py-mpi4py |
3.1.2 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
py-netcdf4 |
1.5.3 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
py-numpy |
1.21.3 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
py-pydmd |
0.3 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
py-pygps |
1.3.5 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
py-pymol |
2.5.0 |
N/A |
fj@4.8.0 |
2022/4/20 |
||
py-pysam |
0.15.3 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
py-scikit-learn |
1.0.1 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
py-scipy |
1.6.1 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
py-seaborn |
0.11.2 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
py-xarray |
0.18.2 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
quantum-espresso |
6.5 / 6.6 / 6.7 / 6.8 |
N/A |
fj@4.7.0 |
*1 |
2021/12/16 |
|
r |
4.1.1 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
raja |
0.14.0 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
rdkit |
2021_03_2 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
samtools |
1.12 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
scale |
5.4.3 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
screen |
4.8.0 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
scsumma25d |
1.0a |
N/A |
fj@4.8.0 |
2022/4/20 |
||
siesta |
4.0.1 |
N/A |
fj@4.8.0 |
2022/4/20 |
||
star |
2.7.6a |
N/A |
fj@4.7.0 |
2021/12/16 |
||
suite-sparse |
5.10.1 |
N/A |
fj@4.7.0 |
2021/12/16 |
||
tmux |
3.2a |
N/A |
fj@4.7.0 |
2021/12/16 |
||
wrf |
3.9.1.1 |
N/A |
fj@4.8.0 |
2022/4/20 |
||
xios |
- |
|||||
zpares |
0.9.6a |
N/A |
fj@4.8.0 |
2022/4/20 |
*1 The following four applications are supported by Research Organization for Information Science and Technology (RIST).
Quantum ESPRESSO
LAMMPS
GROMACS
OpenFOAM
For more details on their usage, please refer to:
*2 The following warning message is generated at the configuration or the execution but it does not affect the behavior of the program.
==> Warning: Quotes in command arguments can confuse scripts like configure.
The following arguments may cause problems when executed:
source /dev/null &> /dev/null && python3 -c "import os, json; print(json.dumps(dict(os.environ)))"
Quotes aren't needed because spack doesn't use a shell.
Consider removing them
*3 User registration is needed to obtain the source code of NAMD. Please obtain it for yourself and install it into your own private instance of Spack in the following way.
$ tar xzf NAMD_2.14_Source.tar.gz
$ cd NAMD_2.14_Source
$ spack dev-build namd