Oprogramowanie: Różnice pomiędzy wersjami
Z Komputery Dużej Mocy w ACK CYFRONET AGH
| Linia 80: | Linia 80: | ||
| [[Turbomole]] || || || || || || | | [[Turbomole]] || || || || || || | ||
|- | |- | ||
| − | | [[TeraChem]] || || || || || 1.45 || | + | | [[TeraChem]] || || || || || 1.45 <br> 1.5 || |
|} | |} | ||
Wersja z 20:51, 9 mar 2012
Spis treści
Aplikacje
| Aplikacja | Baribal | Mars | Panda | Zeus | Zeus GPGPU | Zeus vSMP |
|---|---|---|---|---|---|---|
| ABAQUS | 6.x | 6.x | 6.x | 6.10 | ||
| ADF | ||||||
| ANSYS | 13 | |||||
| ANSYS Fluent | ||||||
| CFOUR | ||||||
| CP2K | ||||||
| CPMD | ||||||
| ForgeG | ||||||
| Galaxy-central | ||||||
| GAMESS | 2009.R3 2010.R1 2010.R1-eth 2010.R1-ib |
luty 2011 | ||||
| Gaussian | G03(E.01) G09(A.02) |
G03(D.01) G09(A.02) |
G03(E.01) | G03(E.01) G09(A.02) | ||
| Gemini2 | ||||||
| Genesis | ||||||
| Gromacs | 4.5.3 | 4.5.3 | ||||
| Head_Refined | ||||||
| Hp2d-parallel-typhoon | ||||||
| IM & IMa | ||||||
| Lammps | ||||||
| Magpar | ||||||
| Mathematica | 8.0 | 8.0 | ||||
| MATLAB | R2010b R2011b |
2010b | ||||
| Maple | 14 | 14 15 |
||||
| Metis | ||||||
| Mira | ||||||
| Molpro | 2010.1-24 | |||||
| MrBayes | ||||||
| NAMD | 2.7b2 | 2.7 | ||||
| NWChem | 5.1.1 | |||||
| OpenFOAM | 1.7.1 | |||||
| OOMMF | 1.2a4 | |||||
| Packmol | 1.1.0.68 | |||||
| ParaView | 3.2.7 | |||||
| POV-Ray | 3.6 | |||||
| Rosetta | 3.3 | |||||
| SQLite | 3.7.9 | |||||
| Turbomole | ||||||
| TeraChem | 1.45 1.5 |
|||||
Kompilatory
| Kompilator | Baribal | Mars | Panda | Zeus | Zeus GPGPU | Zeus vSMP |
|---|---|---|---|---|---|---|
| GNU | ||||||
| Intel | ||||||
| Java | ||||||
| Portland | 11.6 | |||||
| Python | 2.7 | |||||
| Ruby | 1.9.1-p376 |
Narzędzia i biblioteki
| Nazwa | Baribal | Mars | Panda | Zeus | Zeus GPGPU | Zeus vSMP |
|---|---|---|---|---|---|---|
| ATLAS | ||||||
| BLACS | ||||||
| BLAS | ||||||
| Boost | ||||||
| CUDA | ||||||
| FFTW | ||||||
| GCC | ||||||
| GLPK | 4.47 | |||||
| LAPACK | ||||||
| MKL | ||||||
| OpenCL | - | - | - | - | - | |
| QT | ||||||
| R | 2.14.1 | |||||
| SCALAPACK | ||||||
| SCons | ||||||
| Visit | ||||||