Changes to HPC systems are listed below, optionally filtered by system.
Quantum Espresso 6.2.1 has been installed on Owens; usage is via the module espresso/6.2.1. For information on available executables and installation details see the software page for Quantum Espresso or the output of the respective module help command, e.g.: module help espresso/6.2.1. Note that packages GIPAW and WEST were not installed because they are not available with 6.2.1.
Abaqus 2017 is installed on Owens.
PAPI 5.6.0 is installed on Owens. Load module with module load papi/5.6.0
Abaqus ships with its own installation of Python which is incompatible with the system Python. Changes were made to the abaqus module on Oakley putting the Abaqus version of Python in the user's path. This may cause problems if the user runs non-Abaqus Python programs with the abaqus module loaded. Oakley only.
Gromacs 2016.4 has been installed on Owens; usage is via the module gromacs/2016.4.
R/3.4.2 is now available on Owens
Tensorflow 1.3 is now available on Owens
module load python/3.6
module load cuda/8.0.44
PGI 17.10 is now available on Owens, Oakley, and Ruby. Use with "module load pgi/17.10.0".
OpenMPI 2.1.2 is available on Owens for compilers gnu/4.8.5 and intel/16.0.3. Load compiler and use with "module load openmpi/2.1.2"
samtools/HTSlib 1.6 is available on Owens and Oakley.
module load htslib/1.6
module load samtools/1.6