Software on JADEΒΆ
The software initially installed on the machine is listed in the following table:
Application | Version | Note |
---|---|---|
GNU compiler suite | 4.8.5 | part of O/S |
Intel compiler suite | 2021.3 | |
OpenMPI | 2.1.6 | |
OpenMPI | 4.0.5 | Inlcudes multi-thread support |
Gromacs | 2016.3 | Supplied by Nvidia |
NAMD | 2.14 |
This software has been built from source and installed as modules. To list the source built applications do:
$ module avail
----------------------------------------------- /jmain02/apps/Modules/modulefiles/packages ------------------------------------------------------------------------------
autodock-gpu/1.5.2 gnuplot/5.2.8 gromacs/2021.1 namd/2.14 opencv/4.2.0 pytorch/1.9.0 tmux/3.2a (D)
emacs/27.1 gromacs/2020.3 gromacs/2021.2 (D) namd/3.0-alpha7 (D) openmm/7.5.0 sox/14.4.2 vim/8.2
ffmpeg/4.2.2 gromacs/2020.4-plumed-2.6.2 mdtraj/1.9.5 nano/5.3 plumed/2.6.2 tensorflow/2.3.1
The following are the available applications, libraries and development tools on the JADE cluster: