The Assisted Model Building with Energy Refinement (AMBER) package, which includes AmberTools, contains many molecular simulation programs targeted at biomolecular systems. A wide variety of modelling techniques are available. It generally scales well on modest numbers of processors, and the GPU enabled CUDA programs are very efficient.
HyperWorks is a high-performance, comprehensive toolbox of CAE software for engineering design and simulation.
The batch scheduler is configured with a number of scheduling policies to keep in mind. The policies attempt to balance the competing objectives of reasonable queue wait times and efficient system utilization. The details of these policies differ slightly on each system. Exceptions to the limits can be made under certain circumstances; contact oschelp@osc.edu for details.
Several commands allow you to check job status, monitor execution, collect performance statistics or even delete your job, if necessary.
There are many possible reasons for a long queue wait — read on to learn how to check job status and for more about how job scheduling works.
Use the squeue command to check the status of your jobs, including whether your job is queued or running and information about requested resources. If the job is running, you can view elapsed time and resources used.
CUDA™ (Compute Unified Device Architecture) is a parallel computing platform and programming model developed by Nvidia that enables dramatic increases in computing performance by harnessing the power of the graphics processing unit (GPU).
Job scripts are submitted to the batch system using the sbatch command. Be sure to submit your job on the system you want your job to run on, or use the --cluster=<system> option to specify one.
Most jobs on our system are submitted as scripts with no command-line options. If your script is in a file named myscript:
sbatch myscript
In response to this command you’ll see a line with your job ID:
ANSYS FLUENT (called FLUENT hereafter) is a state-of-the-art computer program for modeling fluid flow and heat transfer in complex geometries.
FLUENT is available on the Owens Cluster. You can see the currently available versions in the table on the main Ansys page here.
Ohio Supercomputer Center (OSC) has a variety of software applications to support all aspects of scientific research. We are actively updating this documentation to ensure it matches the state of the supercomputers. This page is currently missing some content; use module spider on each system for a comprehensive list of available software.
COMSOL Multiphysics (formerly FEMLAB) is a finite element analysis and solver software package for various physics and engineering applications, especially coupled phenomena, or multiphysics. owned and supported by COMSOL, Inc.
Intel Math Kernel Library (MKL) consists of high-performance, multithreaded mathematics libraries for linear algebra, fast Fourier transforms, vector math, and more.
