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Cardinal
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 molecules in vacu
Ascend, Cardinal, Pitzer
MPI is a standard library for performing parallel processing using a distributed memory model. The Pitzer, Ascend, and Cardinal clusters at OSC can use the OpenMPI implementation of the Message Passing Interface (MPI).
Cardinal
ANSYS Workbench platform is the backbone for delivering a comprehensive and integrated simulation system to users. See ANSYS Workbench platform for more information.
Cardinal
ANSYS Mechanical is a finite element analysis (FEA) tool that enables you to analyze complex product architectures and solve difficult mechanical problems. You can use ANSYS Mechanical to simulate real world behavior of components and sub-systems, and customize it to test design variations quickly and accurately.
Wednesday, December 2nd
Gateway
Connections to OSC
In order for users to access OSC resources through the web your firewall rules should allow for connections to the following publicly-facing IP ranges. Otherwise, users may be blocked or denied access to our services.
- 192.148.248.0/24
- 192.148.247.0/24
- 192.157.5.0/25
The followingg TCP ports should be opened:
OSC is refreshing the software stack on Ruby on September 15, 2015 (during the scheduled downtime). During the software refresh, some default versions are updated to be more up-to-date. Information about the old and new default versions, as well as all available versions of each software package will be included on the corresponding OSC software webpage. See https://www.osc.edu/supercomputing/software-list.
Ascend, Cardinal, Pitzer
OSC timely installs new software versions on OSC systems, and periodically do coordinated software refresh (update the default versions to be more up-to-date and remove some versions that are quite out of date) on OSC systems. While we encourage everyone to use up-to-date software, the old defaults will still be available till the next software refresh, in case some users prefer to use the old defaults.
OSC is refreshing the software stack on Oakley on September 15, 2015 (during the scheduled downtime); something we have not done since Oakley entered service in 2012. During the software refresh, some default versions are updated to be more up-to-date and some older versions are removed. Information about the old and new default versions, as well as all available versions of each software package will be included on the corresponding OSC software webpage.
Memory Limit:
It is strongly suggested to consider the memory use to the available per-core memory when users request OSC resources for their jobs. On Oakley, it equates to 4GB/core and 48GB/node.
