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Computational software installed on CCB clusters, and who supports and manages which software. |
Question for Lulu
Can the information at the following wiki page be deleted?
See also
Computational Software List, by cluster
Application | Who/How manages | Scheraga | Hoffmann | Lancaster/Crane | Collum | Widom | Loring | Abruna | ChemIT | |
|---|---|---|---|---|---|---|---|---|---|---|
Gaussian | ChemIT |
| g09-C.01 | g09-A.02 |
| g09-A.02 |
|
| g09-A.02 | g09-C.01 |
gv | ChemIT |
| gv-508 |
| gv-508 |
|
| gv-508 | gv-508 | |
orca | ChemIT |
| orca_3_0_1 | orca-_3._0._1 |
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| orca_2_9_1 | |
gromacs | ChemIT | gromacs-4.5.4 |
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| gromacs-4.6.5 | |
Intel Compiler | ChemIT |
| 11.1 20100414 | 11.1 20100203 |
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| intel-14 |
Mathematica | ChemIT |
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| 8.0 |
| 8.0 | |
mpich | ChemIT |
| mpich-1.2.7p1_intel-11.1 | mpich-1.2.7.p1 | mpich-1.2.7.p1 | mpich-1.2.7.p1 |
| mpich-1.2.7p1_intel-10.1 | mpich-1.2.7.p1 | mpich-1.2.7.p1 |
openmpi | ChemIT |
| openmpi-1.4.3 | openmpi-1.6.5 | openmpi-1.6.5 |
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| openmpi-1.6.5_intel_14 |
sbgrid | ChemIT |
|
| yes |
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WebMO | ChemIT |
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| 10.1.002e |
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CUDA | ChemIT | CUDA5.5 |
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Quantum Espresso | Group? |
| espresso-4.0.1 |
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| espresso-5.0.1 |
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adf | Group? |
| adf2012.01 |
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phonopy | Group |
| phonopy-1.6.1 |
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avogadro | Group |
| yes |
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xtalopt | Group |
| yes |
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VASP | Group |
| VASP.5.3/vasp.5.lib |
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Gamess | Group | gamess2009 | yes |
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bomb | Group |
| bomb27 |
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boss | Group |
| boss48 |
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mcpro | Group |
| mcpro21 |
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xcrysden | Group |
| xcrysden-1.5.53 |
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mpiexec | Group |
| mpiexec-0.83 |
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yaehmop | Group |
| yes |
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LAMMPS | Group |
| yes |
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amber | Group | amber10 |
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OpenMM | Group | OpenMM4.0 |
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shiftx2 | Group | shiftx2-v107 |
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sparta+ |
| Group | SPARTA+_v2.60 |
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mopac | Group | MOPAC2012 |
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