OpenMPI 1.10 has been installed on Oakley and Ruby; usage is via the module openmpi/1.10. For information on installation details see our website at: https://www.osc.edu/supercomputing/software/openmpi
During the 2/9/16 downtime a change was made to the functionality of qsub affecting all users.
Allinea MAP is a full scale profiler for HPC programs. We recommend using Allinea MAP after reviewing reports from Allinea Performance Reports. MAP supports pthreads, OpenMP, and MPI software on CPU, GPU, and MIC based architectures.
Allinea Performance Reports is a simple tool used to generate a single-page HTML or plain text report that presents the overall performance characteristics of HPC applications. It supports pthreads, OpenMP, or MPI code on CPU, GPU, and MIC based architectures.
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.
The Schrodinger molecular modeling software suite includes a number of popular programs focused on drug design and materials science but of general applicability, for example Glide, Jaguar, and MacroModel. Maestro is the graphical user interface for the suite. It allows the user to construct and graphically manipulate both simple and complex chemical structures, to apply molecular mechanics and dynamics techniques to evaluate the energies and geometries of mole
MPI is a standard library for performing parallel processing using a distributed memory model. The Oakley, Ruby, and Owens clusters at OSC can use the OpenMPI implementation of the Message Passing Interface (MPI).
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.