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Updated for JADE2
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andygittings committed Nov 8, 2021
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Expand Up @@ -9,23 +9,23 @@ The software initially installed on the machine is listed in the following table
:header: Application,Version,Note
:widths: 20, 20, 10

GNU compiler suite, 4.8.4, part of O/S
PGI compiler suite, 17.4,
OpenMPI, 1.10.2, Supplied with PGI
OpenMPI, 1.10.5a1, Supplied with PGI
OpenMPI, 2.1.2, Inlcudes multi-thread support
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, 2.12,
NAMD, 2.14,

This software has been built from source and installed as modules. To list the source built applications do:

::

$ module avail
----------------------------------------------------- /jmain01/apps/modules -----------------------------
gromacs/2016.3 openmpi/1.10.2/2017 pgi/17.4(default) pgi64/17.4(default)
PrgEnv-pgi/17.4(default) NAMD/2.12 openmpi/1.10.5a1/GNU pgi/2017 pgi64/2017

$ 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:
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