Oprogramowanie: Różnice pomiędzy wersjami
Z Komputery Dużej Mocy w ACK CYFRONET AGH
(Dodany Desmond, Dimemas, wersje kompilatorów GNU i Intel oraz Java dla ZEUSA) |
m (dodano G09 rev C.01) |
||
| Linia 31: | Linia 31: | ||
| [[GAMESS]] || || || || 2009.R3<br>2010.R1<br>2010.R1-eth<br>2010.R1-ib|| 2010.R1<br>2011.R1 || | | [[GAMESS]] || || || || 2009.R3<br>2010.R1<br>2010.R1-eth<br>2010.R1-ib|| 2010.R1<br>2011.R1 || | ||
|- | |- | ||
| − | | [[Gaussian]] || [[Baribal:Gaussian#G03.E.01|G03(E.01)]]<br>[[Baribal:Gaussian#G09.A.02|G09(A.02)]] || [[Mars:Gaussian#G03.D.01|G03(D.01)]]<br>[[Mars:Gaussian#G09.A.02|G09(A.02)]]|| [[Panda:Gaussian#G03.E.01|G03(E.01)]] ||colspan="3" align="center"|[[Zeus:Gaussian#G03.E.01|G03(E.01)]]<br>[[Zeus:Gaussian#G09.A.02|G09(A.02)]] | + | | [[Gaussian]] || [[Baribal:Gaussian#G03.E.01|G03(E.01)]]<br>[[Baribal:Gaussian#G09.A.02|G09(A.02)]] || [[Mars:Gaussian#G03.D.01|G03(D.01)]]<br>[[Mars:Gaussian#G09.A.02|G09(A.02)]]|| [[Panda:Gaussian#G03.E.01|G03(E.01)]] ||colspan="3" align="center"|[[Zeus:Gaussian#G03.E.01|G03(E.01)]]<br>[[Zeus:Gaussian#G09.A.02|G09(A.02)]]<br>[[Zeus:Gaussian#G09.C.01|G09(C.01)]] |
|- | |- | ||
| [[Gemini2]] || || || || || || | | [[Gemini2]] || || || || || || | ||
Wersja z 07:57, 5 cze 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 | ||||||
| Desmond | 3.0.3.1 | |||||
| Dimemas | 3.00.22 | |||||
| ForgeG | ||||||
| Galaxy-central | ||||||
| GAMESS | 2009.R3 2010.R1 2010.R1-eth 2010.R1-ib |
2010.R1 2011.R1 |
||||
| Gaussian | G03(E.01) G09(A.02) |
G03(D.01) G09(A.02) |
G03(E.01) | G03(E.01) G09(A.02) G09(C.01) | ||
| 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 2.8 |
||||
| 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 | 4.1.2 4.5.3 |
|||||
| Intel | 10.1 11.0 11.1 12.0 12.1 |
|||||
| Java | 1.6.0_23 | |||||
| NVCC | 4.0 | |||||
| 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 | 4.0.17 | |||||
| CUBLAS | 4.0.17 | |||||
| CUFFT | 4.0.17 | |||||
| CURAND | 4.0.17 | |||||
| CUSPARSE | 4.0.17 | |||||
| FFTW | ||||||
| GCC | ||||||
| GLPK | 4.47 | |||||
| LAPACK | ||||||
| MAGMA | 1.0.0-rc5 | |||||
| MKL | ||||||
| NPP | 4.0.17 | |||||
| OpenCL | - | - | - | - | - | |
| QT | ||||||
| R | 2.14.1 | |||||
| SCALAPACK | ||||||
| SCons | ||||||
| Visit | ||||||