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{| width="99%" cellpadding="3"
 
! style="background-color: #bbdfd7" | ''Tool''
! style="background-color: #bbdfd7" | [ http://www.hlrs.de/systems/platforms/nec-sx8/ NEC SX8 ]
! style="background-color: #bbdfd7" | [[ NEC_SX-9 | NEC SX9 ]]
! style="background-color: #bbdfd7" | [[ NEC_Nehalem_Cluster | NEC Nehalem Cluster ]]
! style="background-color: #bbdfd7" | [ https://kb.hlrs.de/dgrid/ IBM bw-grid Cluster ]
! style="background-color: #bbdfd7" | [[ Cray_XT5m| Cray XT5m ]]
! style="background-color: #bbdfd7" |
! style="background-color: #bbdfd7" |
! style="background-color: #bbdfd7" |
! style="background-color: #bbdfd7" |
! style="background-color: #bbdfd7" |
[[sx8|NEC SX-8]]<br />[[NEC_SX-9|NEC SX-9]]
! NEC TX7<br />(a1, asama)
!
[[Opteron_Cluster_phoenix|Opteron Cluster]]<br />(phoenix)
!
[[NEC_Cluster_cacau|NEC Xeon EM64T Cluster]]<br />(cacau)
!
[[NEC_Nehalem_Cluster|NEC Nehalem Cluster]]<br />
!
[[Cray_XT5m|Cray XT5m]]<br />
!
[https://kb.hlrs.de/dgrid/ IBM bw-grid cluster]
!
[http://www.cuss.uni-stuttgart.de/ CUSS]
! Limitations
|-
| style="background-color: #e0e0e0" |
[http://wiki.hlrs.de/organization/sos/par/services/apps/chemistry/ '''Computational Chemistry''']
| style="background-color: #e0e0e0" |
[http://wiki.hlrs.de/people/poehlmann Pöhlmann]
| style="background-color: #e0e0e0" colspan="9" |
|-
| GAMESS-US
|
[http://www.msg.ameslab.gov/GAMESS/GAMESS.html GAMESS homepage]
| available
|
|
|
|
|
|
| style="background-color: #acbecd" |
| no user restrictions, noncommercial use only
|-
| Gaussian
|
[http://www.gaussian.com/ Official Gaussian Website]
| 94<br />98
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|
|
|
|
|
| style="background-color: #acbecd" |
| no user restrictions, noncommercial use only
|-
| Molpro
|
[http://www.molpro.net/ Molpro homepage]
| 96<br />98<br />2000<br />2002
|
|
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|
| style="background-color: #acbecd" |
| no user restrictions, noncommercial use only
|-
| MOPAC
|
[http://www.chm.tu-dresden.de/edv/mopac6/mop.html/ MOPAC 6 manual]
| 6
|
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|
|}

Latest revision as of 10:20, 24 February 2010