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Tools Overview

From HLRS Platforms
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Application field Contact
Tool

NEC SX-8
NEC SX-9

NEC TX7
(a1, asama)

Opteron Cluster
(phoenix)

NEC Xeon EM64T Cluster
(cacau)

NEC Nehalem Cluster

Cray XT5m

IBM bw-grid cluster

CUSS

Limitations

Computational Chemistry

Pöhlmann

GAMESS-US

GAMESS homepage

available no user restrictions, noncommercial use only
Gaussian

Official Gaussian Website

94
98
no user restrictions, noncommercial use only
Molpro

Molpro homepage

96
98
2000
2002
no user restrictions, noncommercial use only
MOPAC

MOPAC 6 manual

6