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Turbomole

Introduction

Turbomole is a program package for ab initio electronic structure calculations.

Version

Several versions are available at OSC. Search for turbomole in this list:

module avail

Availability

Turbomole is available on the Glenn Cluster and the BALE Cluster.

Usage

First time users of Turbomole must sign the Turbomole license agreement form. It is available in Academic Agreement Forms or by clicking one of the following links: turbomole.txt, turbomole.pdf

To execute load a turbomole module; for serial programs, e.g.:

module load turbomole
<turbomole command>

for parallel programs, e.g.:

module load turbomole-parallel
<turbomole command>

Documentation

Recent Turbomole manuals are online at http://www.turbomole-gmbh.com/turbomole-manuals.html. The Turbomole 5.8.0 User's Manual is available online at https://www.osc.edu/archive/manuals/Turbomole/html/DOK.html.