Softwares

Compilers

Compilers Version
Intel Parallel Studio XE Cluster Edition 2017.1.132
2017.4.196
2018.0.128
2018.3
2018.4
2018.5
2019.4
Intel oneApi 2023.0
PGI Community Edition 2017
GCC 4.8.5
4.9.4
5.4.0
6.3.0
6.5.0
7.1.0
7.4.0
8.4.0
9.2.0
11.2
12.2
13.2
Cuda 6.5
7.0
7.5
8.0
9.0
9.1
9.2
10.1
11.8.0
12.1.1

MPI (Message Passing Interface)

MPI Version
Intelmpi 2017.1.132 ; 2017.4.196
2018.0.128 ; 2018.5.274
2019.4
Openmpi 2.x.y
3.x.y
4.x.y
Mpich 3.3.2
4.2.0

Libraries

Librarie Version Librarie Version
adios2 2.9.0 metis 4.0.3
5.1.0
arpack 3.9.0 mkl 2017
2018
2019
atlas 3.10.3 mpc 1.1.0
mpc
autoconf 2.71 mpfr 3.1.6
4.1.0
autogen 5.18.16 nco 4.7.9
automake 1.16 netcdf-c 4.7.2
bdwgc 8.0.2
8.2.2		 netcdf-fortran 4.5.2
bear 3.0.21 nfft 3.4.0
binutils 2.40 numactl 2.0.16
bison 3.8 openblas 0.3.7
0.3.17
0.3.23
boost 1.64.0
1.78.0
1.81.0
1.82.0		 openssl 3.0.1
3.1.3
cairo 1.17.4 pcre2 10.39
cgal 4.9.1 petsc 3.17.3
3.18.4
3.18.5
3.20.4
dejagnu 1.6 pixman 0.40.0
eigen 3.4.0 plumed 2.3.1
elpa 2022.05.001
2022.11.001
2023.05.001		 pmix 4.1.2
5.0.1
expect 5.45.4 proj 9.0.1
fftw 3.3.7
3.3.8
3.3.10		 psm2 11.2.230
flex 2.6.4 qd 2.3.23
geos 3.11.0 rdma-core 48.0
gmp 6.2.1 scalapack 2.2.0
go 1.20.1 scotch 7.0.3
gperf 3.1 slepc 3.17.3
3.20.1
gsl 2.7.1 spglib 2.0.2
guile 2.2.7
3.0.8
3.0.9		 sqlite 3.44.0
hdf5 1.10.1
1.12.2
1.14.1-2		 SuiteSparse 4.5.4
help2man 1.49.3 tiff 4.4.0
hwloc 1.11.11
2.6.0
2.8.0
2.9.3		 tmux std
hypre 2.10.0b
2.11.2
2.27.0		 ucx 1.13.1
1.14.0
1.15.0
ImageMagick 7.1.1-19 wayland-protocols std
ior 3.2.0 xblas 1.0.248
kahip 2.12 zlib 1.2.11
m4 1.4.19

Applications

Applications Version GPU Compatible
Abinit 8.10.2
9.10.3		 GPU
Abaqus* 2017
Amber* 16
22.4		 GPU
Ansys Fluent* 17.2
18.0
19.1
24.2
ATSAS 3.2.1-1
Caffe 1.0
2.0		 GPU
CASTEP* 16.1
19.1
24.1
Cp2k 4.1
6.1
Crystal* 14
Damask alpha_3.0.0
Dftb+ 21.2
Foam-extend 4.0
FDS 6.7.0
6.7.5
FEFF 9.0
FreeFem++ 3.60
3.62
4.11
4.14
Gaussian* 03_REV_B05
09_REV_D01
Gromacs 2016.3
5.1.4
2022.3
2023.2
HyperWorks Solvers* 2017.2.1
Lammps 2017
2018
2020
2022
liggghts 3.8.2
Matlab* r2017b
2019b
2024a
mdespresso 4.1.2
4.2.0
mess
Mothur 1.40.5
NAMD 2.14
2.15
3.0		 gpu
openbabel 3.1.1
OpenFOAM
Fondation		 2.2.2
4.1
5.0
7.0
OpenFOAM
ESI		 1912
2206
2212
2312
OpenMolcas 24.02
orca 6.0.0
Pytorch 1.0 GPU
Quantum Espresso* 5.3.0
6.0
7.1
7.2
R 3.5.2
4.1.3
Relion 4.0
5.0		 GPU
shengbte
Siesta 4.0.1
4.1.5
5.0.0
TeraChem* 1.9
Uspex 9.4.4
VASP* 5.4.1
5.4.4
6.4.3
xtb 6.4.1

*A proof of purchase of license will be required to use these applications.

Graphics applications

Applications Version
Avogadro 1.90.0
Ansys 17.2
19.1
gabedit
GaussView 5.0.9
Gnuplot 5.4.6
Grace
Jmol
Matlab r2017b
r2019b
molden
molekel 5.4.0
netpbm 10.73.43
Paraview 4.4.0
5.10.1
vesta
vmd 1.9.3
vtk 9.2
xcrysden

Tools

Tools Version
advisor 2018
2019
anaconda2 2.5.1
3.5.1
anaconda3 2022.05
2024.02
2024.06
bash 5.2
Boltz2 20.2.1
cmake 3.10.2
3.15.5
3.23
3.26.3
Doxygen 1.11.0
Firefox 65
ffmpeg 4.1.1
fluidfoam
git 2.15.1
gmsh 3.0.6
idb 2018
2019
inspector 2018
2019
json-fortran std
julia 1.10.3
libtool 2.4.6
make 4.4
4.4.1
mmg 5.4.3
mumax 3.10b
nano text editor 8.0
paraview 4.4.0
5.10.1
perl 5.34.0
5.38.0
python 2.7
3.6
3.10.2
3.12.0
tbb 2018
2019
vtune-amp 2018
2019
mercurial 6.3.2
qt 5.13.1
subversion 1.12.2
swig 4.02
valgrind 3.19.0
3.21.0
smilei
pigz 2.8