Software on JADEΒΆ

The software initially installed on the machine is listed in the following table:

Application Version Note
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
Gromacs 2016.3 Supplied by Nvidia
NAMD 2.12  

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

The following are the available applications, libraries and development tools on the JADE cluster: