LAMMPS stable version 7Dec15 has been installed on Glenn, Oakley, and Ruby. Usage is via the modules lammps-7Dec15 on Glenn and lammps/7Dec15 on Oakley and Ruby. For information on installation details, such as, available packages, see the output of the respective module help command, e.g.: module help lammps/7Dec15
NAMD 2.11 has been installed on Oakley; usage is via the module namd/2.11. For information on installation details see the output of the respective module help command, e.g.: module help namd/2.11.
MPI is a standard library for performing parallel processing using a distributed-memory model. The Oakley and Ruby clusters at OSC can use the OpenMPI implementation of the Message Passing Interface (MPI), which is based on MPICH.
Abaqus 6.14 refresh 5 has been installed on Oakley.
Usage: module load abaqus/6.14-refresh5
Quantum espresso 5.2.1 has been installed on Oakley.
Currently, it supports serial and MPI parallel runs.
The installation of ncl/ncarg 6.3.0 has been corrected on Oakley
Q-Chem 4.3.1 (Build number 32) has been installed on Oakley. To load, use
module load qchem/4.3.1
PAPI provides the tool designer and application engineer with a consistent interface and methodology for use of the performance counter hardware found in most major microprocessors. PAPI enables software engineers to see, in near real time, the relation between software performance and processor events.
This software will be of interest only to HPC experts.