Application Guides

From Research Computing Website

Applications Overview

HPC Cluster (Raad2)

Software listed in this section is deployed on the HBKU HPC cluster raad2. Each package is licensed under a different agreement. Users are required to review and abide by all applicable license terms.

Users may contact the RCCL team to request installation of packages not currently found on the list below. Note that applications required by individual users (particularly open source packages) may also be installed by the user himself/herself within their home directory; such installs do not require administrative rights. If a new package is likely to be used by multiple users however, or if a user does not have the know-how to install a package themselves, our staff may be requested to perform the install.

Scientific Applications

ANSYS Academic Research
Available Versions
v195, v231, 2023R1, 2023R2
Documentation

CERN Open Data Client
Available Versions
0.3.0
Documentation

COMSOL Multiphysics
Available Versions
6.2
Documentation

CP2K
Available Versions
2023.1
Documentation

FEniCS
Available Versions
201910b1, 6u06_c604
Documentation

Garfield
Available Versions
parallel, serial
Documentation

Gate
Available Versions
9.1, 9.3
Documentation

Gaussian
Available Versions
g09.d01
Documentation

Geant4
Available Versions
10.07.p02, 10.07.p03, 11.1.2
Documentation

GROMACS
Available Versions
201910b1, 6u06_c604
Documentation

LAMMPS
Available Versions
12Dec18li
Documentation

MadGraph5_aMC@NLO
Available Versions
2.6.7
Documentation

MATLAB
Available Versions
r2016a, r2019a, r2021a, r2022a
Documentation

NAMD
Available Versions
212
Documentation

OpenFoam
Available Versions
201910b1, 6u06_c604
Documentation

QuantumATK
Available Versions
v2019.12
Documentation

ROOT
Available Versions
5.34.38, 6.18.04, 6.19.02, 6.28.06
Documentation

STIR
Available Versions
4.0.1
Documentation

Topas
Available Versions
v37, v39
Documentation

Development / Runtime tools

Anaconda
Available Versions
2023.03-1, 2023.07-2, anaconda3
Documentation

cmake
Available Versions
3.22.2
Documentation

GCC
Available Versions
8.1.0, 8.3.0, 9.3.0, 10.3.0, 11.2.0, 12.1.0
Documentation

GDB
Available Versions
5.34.38, 6.18.04, 6.19.02, 6.28.06
Documentation

PGI
Available Versions
16.10
Documentation

Python
Available Versions
3.8.5.1, 3.9.13.2, 3.11.3
Documentation

R Programming Language
Available Versions
5.34.38, 6.18.04, 6.19.02, 6.28.06
Documentation

SingularityPRO
Available Versions
3.7-4
Documentation

Visual Studio Code
Available Versions
any
Documentation

CRAY Software Development toolchain

Cray C Compiler (CCE)
Available Versions
Documentation

Cray Fortran Compiler (CCE)
Available Versions
Documentation

Intel Software Development toolchain (2020)

Intel C / C++ Compiler
Available Versions
19.1.3.304
Documentation

Intel Fortran Compiler
Available Versions
19.1.3.304
Documentation

Libraries

Boost
Available Versions
1.76.0
Documentation

CLHEP
Available Versions
2.4.4.1
Documentation

Cray-mpich
Available Versions
7.7.17, 7.7.20
Documentation

Cray Scientific and Math Libraries (SCML)
Available Versions
Documentation

FFmpeg
Available Versions
Documentation

GDCM
Available Versions
3.0.21
Documentation

GSL
Available Versions
2.7
Documentation

IMSL
Available Versions
2021.0.0
Documentation

Intel MPI Library
Available Versions
Documentation

Intel Math Kernel Lib. (MKL)
Available Versions
Documentation

jemalloc
Available Versions
5.1.0.3
Documentation

GPU Cluster (raad2-gfx)

Software listed in this section is deployed on the GPU cluster raad2-gfx. Each package is licensed under a different agreement. Users are required to review and abide by all applicable license terms.

Users may contact RCCL team to request installation of packages not currently found on the list below. Note that applications required by individual users (particularly open source packages) may also be installed by the user himself/herself within their home directory; such installs do not require administrative rights. If a new package is likely to be used by multiple users however, or if a user does not have the know-how to install a package themselves, our staff may be requested to perform the install.

Scientific Application

Avizo
Available Versions
7.0, 8.0, 8.0.1, 8.1, 9.2, 2019.4, 2021.2, 2023.1.1
Documentation

BigDFT
Available Versions
Documentation

CMG Builder Reservoir Simulation Models
Available Versions
Documentation

CMG Results
Available Versions
Documentation

EnSight
Available Versions
100Full-10.0.2h
Documentation

GROMACS GPU
Available Versions
2018.2
Documentation

LAMMPS GPU
Available Versions
2018.10
Documentation

MATLAB GPU
Available Versions
r2014a
Documentation

NAMD GPU
Available Versions
2.13
Documentation

ParaView
Available Versions
Documentation

TensorFlow
Available Versions
Documentation

Development tools

Anaconda
Available Versions
Documentation

CUDA
Available Versions
10.1, 10.2, 11.0, 11.1, 11.2, 11.6, 11.8
Documentation

cuDNN
Available Versions
cudnn7.6-cuda10.2, cudnn8.0-cuda10.2, cudnn8.0-cuda11.0, cudnn8.0-cuda11.1, cudnn8.1-cuda11.2, cudnn8.5-cuda11.8
Documentation

GDB
Available Versions
8.2-11.el8
Documentation

GlobalArrays
Available Versions
5.7
Documentation

hwloc
Available Versions
1.11.11
Documentation

Julia
Available Versions
1.2.0
Documentation

Jupyter Lab
Available Versions
Documentation

Python GPU
Available Versions
2.7.9
Documentation

PyTorch
Available Versions
Documentation

RAPIDSai
Available Versions
rapids0.13-cuda10.0, rapidsai_0.18-cuda11.0
Documentation

Librairies

BLACS
Available Versions
1.1patch03
Documentation

BLAS
Available Versions
3.8.0
Documentation

FFTW
[fftw.org]
Available Versions
3.3.8
Documentation

HDF5
Available Versions
1.8.21, 1.10.1
Documentation

LAPACK
Available Versions
3.9.0
Documentation

MPICH
Available Versions
3.3.2
Documentation

MVAPICH2
Available Versions
2.3.4
Documentation

NetCDF
Available Versions
4.7.3
Documentation

OpenBLAS
Available Versions
0.3.7
Documentation

OpenMPI
Available Versions
1.10.7, 3.1.6
Documentation

UCX
Available Versions
1.8.1
Documentation

Visualization Toolkit Library (VTK)
Available Versions
Documentation

Desktops & Laptops

RCCL Team provides guidance for installing these applications on user desktops and/or laptops.

Scientific Applications

ANSYS Academic Research
Available Versions
14, 14.5, 16.1, 16.2, 17.2, 18.1, 19.2, 2019R3, 2019R2, 2023R1, 2023R2, 2024R1
Documentation

ANSYS Chemkin
Available Versions
18.0
Documentation

ANSYS HFSS
Available Versions
15.0
Documentation

Autodesk 3DS MAX
Available Versions
2015
Documentation

Autodesk Stingray
Available Versions
1.4.728
Documentation

Avizo
Available Versions
7.0, 8.0, 8.0.1, 8.1, 9.2, 2019.4, 2021.2, 2023.1.1
Documentation

COMSOL Multiphysics
Available Versions
6.2
Documentation

Ensight
Available Versions
100Full-10.0.2h
Documentation

Mathematica
Available Versions
9.00, 11.0.1, 11.3.0, 13.1.0
Documentation

MATLAB
Available Versions
2011b, 2012a, 2012b, 2013a, 2013b, 2014a, 2015a, 2016a, 2017a, 2017b, 2017a, 2017b, 2018b, 2019a, 2019b, 2021a, 2023a
Documentation

OpenFoam
Available Versions
231
Documentation

Origin
Available Versions
851, 2015, 2017, 2020, 2023b
Documentation

QuantumATK
Available Versions
2019.03
Documentation

SOLIDWORKS
Available Versions
2013, 2014, 2015 SP04, 2017, 2019, 2024
Documentation

Tecplot
Available Versions
360ex
Documentation

Development / Runtime tools

Intel OneAPI Base toolkit
Available Versions
2023.2.0
Documentation

Intel HPC toolkit
Available Versions
2024.0.0
Documentation

Intel C++ compiler
Available Versions
11.1
Documentation

Intel Visual Fortran compiler
Available Versions
11.1, SP1, 2011, 2013-sp1, 2013.1.119, 2013.3.171
Documentation

Java JDK
Available Versions
1.7.0
Documentation

PGI Compiler
Available Versions
2015
Documentation

VirtualBox
Available Versions
4.2.6, 4.3.14, 4.3.20, 4.3.4, 4.3.6, 4.3.20, 5.0.12, 5.0.20
Documentation

VisualStudio
Available Versions
2008Pro, 2010Pro, 2010ProSP1, 2019CommunityEdition
Documentation

Visual Studio Code
Available Versions
any
Documentation
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