Compilation Guide
As a general recommendation, we suggest selecting the newest compilers available for a new project. For repeatability, you may not want to change compilers in the middle of an experiment.
Pitzer
ParaView
ParaView is an open-source, multi-platform application designed to visualize data sets of size varying from small to very large. ParaView was developed to support distributed computational models for processing large data sets and to create an open, flexible user interface.
Availability and Restrictions
Versions
ParaView is available on Cardinal and Pitzer Clusters. The versions currently available at OSC are:
Classroom Project Resource Guide
This document includes information on utilizing OSC resources in your classroom effectively.
Request a Classroom Project
Classroom projects will not be billed under the Ohio academic fee structure; all fees will be fully discounted at the time of billing.
New User Resource Guide
Getting Started at OSC
This guide was created for new users of OSC.
It explains how to use OSC from the very beginning of the process, from creating an account right up to using resources at OSC.
OSC account setup
The first step is to make sure that you have an OSC username.
Turbomole
TURBOMOLE is an ab initio computational chemistry program that implements various quantum chemistry algorithms. It is focused on efficiency, notably using the resolution of the identity (RI) approximation.
Out-of-Memory (OOM) or Excessive Memory Usage
Problem description
A common problem on our systems is that a user's job causes a node out of memory or uses more than its allocated memory if the node is shared with other jobs.
If a job exhausts both the physical memory and the swap space on a node, it causes the node to crash. With a parallel job, there may be many nodes that crash. When a node crashes, the OSC staff has to manually reboot and clean up the node. If other jobs were running on the same node, the users have to be notified that their jobs failed.
Quantum Espresso
Quantum ESPRESSO (QE) is a program package for ab-initio molecular dynamics (MD) simulations and electronic structure calculations. It is based on density-functional theory, plane waves, and pseudopotentials.
HOWTO: Use VNC in a batch job
SSHing directly to a compute node at OSC - even if that node has been assigned to you in a current batch job - and starting VNC is an "unsafe" thing to do. When your batch job ends (and the node is assigned to other users), stray processes will be left behind and negatively impact other users. However, it is possible to use VNC on compute nodes safely.
Training
OSC offers online and in-person training for new and advanced users on a variety of high performance supercomputing topics.
New! Online Training Courses
OSC has partnered with The Ohio State University to offer online training courses that clients can complete at their own pace at any time on the ScarletCanvas platform, Ohio State's public learning management system.
The first two available courses are:
TurboVNC
TurboVNC is an implementation of VNC optimized for 3D graphics rendering. Like other VNC software, TurboVNC can be used to create a virtual desktop on a remote machine, which can be useful for visualizing CPU-intensive graphics produced remotely.
Availability and Restrictions
Versions
The versions currently available at OSC are:
