JADE is a Tier-2 resources hosted at University of Oxford. Imperial College London users have free access to this Tier-2 resources (for Cambridge students, if you are working under my group, this also applies to you).
JADE has ~64 GPU nodes and each node contains 8 NVIDIA V100 cards and 4TB SSD.
For JADE, you will need to register for a Hartree SAFE account
https://um.hartree.stfc.ac.uk/hartree/
After the registration, would you please use the Hartree portal and use the following information to send a project request
Then you should send an email to Dugan Witherick [email protected] to access for approval, please also cc me in that email.
Please DO NOT share the project code and access code to other people!
Docs for JADE is available here
Software on JADE - JADE documentation
The doc they have provided, however, does not really tell you how to install a conda environment for yourself, and this is why I am writing this doc.
The most convenient way to install and verify your environment on JADE is through an interactive session. After login, you should see
Last login: Thu Oct 6 10:26:47 2022 from 86.7.189.199
-bash: warning: setlocale: LC_CTYPE: cannot change locale (UTF-8): No such file or directory
##########################################################################
## Welcome to _____ ____ _________ ##
## / / | / __ \\/ ____/__ \\ /\\ ##
## __ / / /| | / / / / __/ __/ / /\\/\\ ##
## / /_/ / ___ |/ /_/ / /___ / __/ \\/\\/ ##
## \\____/_/ |_/_____/_____//____/ \\/ ##
##########################################################################
(The following installation guide is written based on memorisation, things might be inaccurate, if you meet any troubles or think something is wrong, you should let me know)
module avail
------------------------------------------------- /jmain02/apps/lmod/lmod/modulefiles/Core -------------------------------------------------
lmod settarg use.dev use.own use.viz
------------------------------------------------ /jmain02/apps/Modules/modulefiles/packages ------------------------------------------------
amber/20 gromacs/2020.4-plumed-2.6.2 gromacs/2022 opencv/4.2.0 sox/14.4.2
autodock-gpu/1.5.2 gromacs/2020.5-ramd-2.0 gromacs/2022.2 (D) openmm/7.5.0 tensorflow/2.3.1
ffmpeg/4.2.2 gromacs/2021.1 mdtraj/1.9.5 plumed/2.6.2 tensorflow/2.7.0
firefox/104.0.1 gromacs/2021.2 namd/2.14 pytorch/1.9.0 tensorflow/2.9.1 (D)
gromacs/2020.3 gromacs/2021.5 namd/3.0-alpha7 (D) pytorch/1.12.1 (L,D)
------------------------------------------------- /jmain02/apps/Modules/modulefiles/other --------------------------------------------------
cuda/10.1 cuda/11.2 (D) gnuplot/5.2.8 netcdf/4.7.4 python/jupyter tmux/3.2a
cuda/10.2 (L) emacs/27.1 hdf5/1.10.7 openmpi/4.0.5-gcc-9.1.0 python/notebook utilities
cuda/11.1-gcc-9.1.0 gcc/9.1.0 nano/5.3 python/anaconda3 python/3.8.6 (D) vim/8.2