Oprogramowanie: Różnice pomiędzy wersjami

Z Komputery Dużej Mocy w ACK CYFRONET AGH
Skocz do:nawigacja, szukaj
Linia 5: Linia 5:
 
{| class="wikitable sortable" style="text-align:center"
 
{| class="wikitable sortable" style="text-align:center"
 
|+ Dostępne pakiety obliczeniowe i ich wersje
 
|+ Dostępne pakiety obliczeniowe i ich wersje
−
! data-sort-type="text" |Pakiet !! [[Baribal]] !! [[Mars]] !! [[Panda]] !! [[Zeus]] !! [[Zeus vSMP]] !! [[Zeus GPGPU]]
+
! data-sort-type="text" |Pakiet !! [[Mars]] !! [[Panda]] !! [[Zeus]] !! [[Zeus vSMP]] !! [[Zeus GPGPU]]
 
|-
 
|-
−
| [[ABAQUS]] || [[Abaqus|6.x]] || [[Mars:Abaqus|6.x]] || [[Abaqus|6.x]] ||colspan="2" align="center"|[[Zeus:Abaqus#6.10|6.10]]<br/>[[Zeus:Abaqus#6.12|6.12]]||
+
| [[ABAQUS]] || [[Mars:Abaqus|6.x]] || [[Abaqus|6.x]] ||colspan="2" align="center"|[[Zeus:Abaqus#6.10|6.10]]<br/>[[Zeus:Abaqus#6.12|6.12]]||
 
|-
 
|-
−
| [[ABINIT]] || || || ||colspan="2" align="center"| [[Zeus:ABINIT#6.6.1|6.6.1]]<br/>[[Zeus:ABINIT#6.12.2|6.12.2]] ||
+
| [[ABINIT]] || || ||colspan="2" align="center"| [[Zeus:ABINIT#6.6.1|6.6.1]]<br/>[[Zeus:ABINIT#6.12.2|6.12.2]] ||
 
|-
 
|-
−
| [[ACCELRYS]] || || [[Mars:Accelrys#MS-5.5|MS-5.5]] <br> [[Mars:Accelrys#DS-3.0|DS-3.0]]|| || || ||  
+
| [[ACCELRYS]] || [[Mars:Accelrys#MS-5.5|MS-5.5]] <br> [[Mars:Accelrys#DS-3.0|DS-3.0]]|| || || ||  
 
|-
 
|-
−
| [[ACES]] || ||[[Mars:ACES|AcesII]] || ||colspan="2" align="center"| [[Zeus:ACES#MAB(2005)|MAB(2005)]] ||
+
| [[ACES]] ||[[Mars:ACES|AcesII]] || ||colspan="2" align="center"| [[Zeus:ACES#MAB(2005)|MAB(2005)]] ||
 
|-
 
|-
−
| [[ADF]] || ||[[Mars:ADF#Ustawienia zmiennych dla wersji 2008:|2008.01]]<br>[[Mars:ADF#Ustawienia zmiennych dla wersji 2009:|2009.01]] || || colspan="2" align="center"|[[Zeus:ADF#2010.02|2010.02]]<br/> [[Zeus:ADF#2012.01|2012.01]]<br/>[[Zeus:ADF#2012.01c|2012.01c]]<br/>[[Zeus:ADF#2013.01|2013.01]]||
+
| [[ADF]] ||[[Mars:ADF#Ustawienia zmiennych dla wersji 2008:|2008.01]]<br>[[Mars:ADF#Ustawienia zmiennych dla wersji 2009:|2009.01]] || || colspan="2" align="center"|[[Zeus:ADF#2010.02|2010.02]]<br/> [[Zeus:ADF#2012.01|2012.01]]<br/>[[Zeus:ADF#2012.01c|2012.01c]]<br/>[[Zeus:ADF#2013.01|2013.01]]||
 
|-
 
|-
−
| [[Amber]] || || || || colspan="2" align="center"| [[Zeus:Amber#11|11]]<br/>[[Zeus:Amber#11-ib|11-ib]]<br/>[[Zeus:Amber#11-abertools12|11-abertools12]]|| [[Zeus GPGPU:Amber#11|11]]  
+
| [[Amber]] || || || colspan="2" align="center"| [[Zeus:Amber#11|11]]<br/>[[Zeus:Amber#11-ib|11-ib]]<br/>[[Zeus:Amber#11-abertools12|11-abertools12]]|| [[Zeus GPGPU:Amber#11|11]]  
 
|-
 
|-
−
| [[ Ansys]] || [[baribal:Ansys|13.0<br>14.0]] || [[mars:Ansys|14.0<br/>14.5]] || ||colspan="2" align="center"| [[Zeus:ANSYS#13.0|13.0]] <br/> [[Zeus:ANSYS#14.0.3|14.0.3]] <br/> [[Zeus:ANSYS#14.5|14.5]]<br/> [[Zeus:ANSYS#15.0|15.0]]||
+
| [[ Ansys]] || [[mars:Ansys|14.0<br/>14.5]] || ||colspan="2" align="center"| [[Zeus:ANSYS#13.0|13.0]] <br/> [[Zeus:ANSYS#14.0.3|14.0.3]] <br/> [[Zeus:ANSYS#14.5|14.5]]<br/> [[Zeus:ANSYS#15.0|15.0]]||
 
|-
 
|-
−
| [[ ANSYS FLUENT]] ||[[baribal:Fluent|13.0<br>14.0]] ||[[mars:Fluent|14.0<br>14.5]] || || colspan="2" align="center"| [[Zeus:ANSYS_Fluent#14.0.0|14.0.0]] <br/> [[Zeus:ANSYS_Fluent#14.5.7|14.5.7]] <br/> [[Zeus:ANSYS_Fluent#15.0.0|15.0.0]] ||
+
| [[ ANSYS FLUENT]] ||[[mars:Fluent|14.0<br>14.5]] || || colspan="2" align="center"| [[Zeus:ANSYS_Fluent#14.0.0|14.0.0]] <br/> [[Zeus:ANSYS_Fluent#14.5.7|14.5.7]] <br/> [[Zeus:ANSYS_Fluent#15.0.0|15.0.0]] ||
 
|-
 
|-
−
| [[Autodock]] || || || || [[Zeus:Autodock#4.2.3|4.2.3]] || ||  
+
| [[Autodock]] || || || [[Zeus:Autodock#4.2.3|4.2.3]] || ||  
 
|-
 
|-
−
| [[Blender]] || || || || [[Zeus:Blender#2.49b|2.49b]] <br/>[[Zeus:Blender#2.65|2.65]] || ||
+
| [[Blender]] || || || [[Zeus:Blender#2.49b|2.49b]] <br/>[[Zeus:Blender#2.65|2.65]] || ||
 
|-
 
|-
−
| [[Cadence]] || || || || [[Zeus:Cadence#2009cdb|2009cdb]] <br/> [[Zeus:Cadence#2009oa|2009oa]] <br/> [[Zeus:Cadence#2010cdb|2010cdb]] <br/> [[Zeus:Cadence#2010oa|2010oa]]|| ||
+
| [[Cadence]] || || || [[Zeus:Cadence#2009cdb|2009cdb]] <br/> [[Zeus:Cadence#2009oa|2009oa]] <br/> [[Zeus:Cadence#2010cdb|2010cdb]] <br/> [[Zeus:Cadence#2010oa|2010oa]]|| ||
 
|-
 
|-
−
| [[Zeus:CASTEP|CASTEP]] || || || || [[Zeus:CASTEP#6.0.1|6.0.1]] || ||  
+
| [[Zeus:CASTEP|CASTEP]] || || || [[Zeus:CASTEP#6.0.1|6.0.1]] || ||  
 
|-
 
|-
−
| [[CFOUR]] || || || ||colspan="2" align="center"| [[Zeus:CFOUR#1.0|1.0]] ||
+
| [[CFOUR]] || || ||colspan="2" align="center"| [[Zeus:CFOUR#1.0|1.0]] ||
 
|-
 
|-
−
| [[Zeus:CP2K|CP2K]] || || || || [[Zeus:CP2K#2.1|2.1]]<br/>[[Zeus:CP2K#2.3|2.3]]<br/>[[Zeus:CP2K#2.4|2.4]]<br/>[[Zeus:CP2K#2.5.1|2.5.1]] || ||  
+
| [[Zeus:CP2K|CP2K]] || || || [[Zeus:CP2K#2.1|2.1]]<br/>[[Zeus:CP2K#2.3|2.3]]<br/>[[Zeus:CP2K#2.4|2.4]]<br/>[[Zeus:CP2K#2.5.1|2.5.1]] || ||  
 
|-
 
|-
 
| [[Zeus:CPMD|CPMD]] || || || || [[Zeus:CPMD#3.13-2|3.13-2]] || ||  
 
| [[Zeus:CPMD|CPMD]] || || || || [[Zeus:CPMD#3.13-2|3.13-2]] || ||  
 
|-
 
|-
−
| [[CRYSTAL]] || || || || [[Zeus:CRYSTAL#CRYSTAL09 2.0.1|CRYSTAL09 2.0.1]] || ||  
+
| [[CRYSTAL]] || || || [[Zeus:CRYSTAL#CRYSTAL09 2.0.1|CRYSTAL09 2.0.1]] || ||  
 
|-
 
|-
−
| [[Zeus:Dalton|Dalton]] || || || ||colspan="2" align="center"| [[Zeus:Dalton#2013.1|2013.1]] ||
+
| [[Zeus:Dalton|Dalton]] || || ||colspan="2" align="center"| [[Zeus:Dalton#2013.1|2013.1]] ||
 
|-
 
|-
−
| [[Desmond]] || || || || [[Zeus:Desmond#3.0.3.1|3.0.3.1]] || ||  
+
| [[Desmond]] || || || [[Zeus:Desmond#3.0.3.1|3.0.3.1]] || ||  
 
|-
 
|-
−
| [[DFT-D3]] || || || || [[Zeus:DFT-D3#3.0.2|3.0.2]] || ||  
+
| [[DFT-D3]] || || || [[Zeus:DFT-D3#3.0.2|3.0.2]] || ||  
 
|-
 
|-
−
| [[Elegant]] || || || || [[Zeus:Elegant#25.0.3|25.0.3]] || ||  
+
| [[Elegant]] || || || [[Zeus:Elegant#25.0.3|25.0.3]] || ||  
 
|-
 
|-
−
| [[FLUKA]] || || || || [[FLUKA|2011.2]] || ||  
+
| [[FLUKA]] || || || [[FLUKA|2011.2]] || ||  
 
|-
 
|-
−
| [[ForgeG]] || || || || || [[Zeus:Elegant#20110408|20110408]] ||
+
| [[ForgeG]] || || || || [[Zeus:Elegant#20110408|20110408]] ||
 
|-
 
|-
−
| [[Galaxy-central]] || || || || || ||
+
| [[Galaxy-central]] || || || || ||
 
|-
 
|-
−
| [[GAMESS]] || || || ||colspan="2" align="center"| [[Zeus:GAMESS#2010.R1|2010.R1]]<br/> [[Zeus:GAMESS#2012.R2|2012.R2]]
+
| [[GAMESS]] || || ||colspan="2" align="center"| [[Zeus:GAMESS#2010.R1|2010.R1]]<br/> [[Zeus:GAMESS#2012.R2|2012.R2]]
 
|align="center"|[[Zeus:GAMESS#2010.R1-GPGPU|2010.R1]]<br>[[Zeus:GAMESS#2011.R1-GPGPU|2011.R1]]
 
|align="center"|[[Zeus:GAMESS#2010.R1-GPGPU|2010.R1]]<br>[[Zeus:GAMESS#2011.R1-GPGPU|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)]]<br>[[Mars:Gaussian#G09.C.01|G09(C.01)]]<br>[[Mars:Gaussian#G09.D.01|G09(D.01)]] || [[Panda:Gaussian#G03.E.01|G03(E.01)]]  ||[[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)]]<br> [[Zeus:Gaussian#G09.D.01|G09(D.01)]]|| ||
+
| [[Gaussian]] || [[Mars:Gaussian#G03.D.01|G03(D.01)]]<br>[[Mars:Gaussian#G09.A.02|G09(A.02)]]<br>[[Mars:Gaussian#G09.C.01|G09(C.01)]]<br>[[Mars:Gaussian#G09.D.01|G09(D.01)]] || [[Panda:Gaussian#G03.E.01|G03(E.01)]]  ||[[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)]]<br> [[Zeus:Gaussian#G09.D.01|G09(D.01)]]|| ||
 
|-
 
|-
−
| [[Gemini2]] || || || || || ||
+
| [[Gemini2]] || || || || ||
 
|-
 
|-
−
| [[Zeus:GENESIS|Genesis]] || || || || colspan="2" align="center"|[[Zeus:GENESIS#2.3|2.3]]||
+
| [[Zeus:GENESIS|Genesis]] || || || colspan="2" align="center"|[[Zeus:GENESIS#2.3|2.3]]||
 
|-
 
|-
−
| [[Gromacs]] || || || ||colspan="2" align="center"|[[Zeus:Gromacs#4.5.3|4.5.3]]||  
+
| [[Gromacs]] || || ||colspan="2" align="center"|[[Zeus:Gromacs#4.5.3|4.5.3]]||  
 
|-
 
|-
−
| [[Head_Refined]] || || || || || ||
+
| [[Head_Refined]] || || || || ||
 
|-
 
|-
−
| [[Hp2d-parallel-typhoon]] || || || || || ||
+
| [[Hp2d-parallel-typhoon]] || || || || ||
 
|-
 
|-
−
| [[HyperWorks]] || || || || [[Zeus:HyperWorks#12.0|12.0]] || ||
+
| [[HyperWorks]] || || || [[Zeus:HyperWorks#12.0|12.0]] || ||
 
|-
 
|-
−
| [[IM & IMa]] || || || || [[Zeus:IM#2009.12.17|IM - 2009.12.17]] <br> [[Zeus:IMa#8.26.11|IMa2 - 8.26.11]] || ||  
+
| [[IM & IMa]] || || || [[Zeus:IM#2009.12.17|IM - 2009.12.17]] <br> [[Zeus:IMa#8.26.11|IMa2 - 8.26.11]] || ||  
 
|-
 
|-
−
| [[LAMMPS]] || || || || colspan="2" align="center"|[[Zeus:LAMMPS#30Sep11|30Sep11]]<br>[[Zeus:LAMMPS#26Oct12|26Oct12]] ||
+
| [[LAMMPS]] || || || colspan="2" align="center"|[[Zeus:LAMMPS#30Sep11|30Sep11]]<br>[[Zeus:LAMMPS#26Oct12|26Oct12]] ||
 
|-
 
|-
−
| [[Magpar]] || || || || [[Zeus:Magpar#0.9|0.9]] || ||
+
| [[Magpar]] || || || [[Zeus:Magpar#0.9|0.9]] || ||
 
|-
 
|-
−
| [[Mathematica]] || ||[[Mars:Mathematica#8.0|8.0]]<br\>[[Mars:Mathematica#9.0|9.0]] || || [[Zeus:Mathematica#8.0|8.0]]<br/>[[Zeus:Mathematica#9.0|9.0]] || ||  
+
| [[Mathematica]] ||[[Mars:Mathematica#8.0|8.0]]<br\>[[Mars:Mathematica#9.0|9.0]] || || [[Zeus:Mathematica#8.0|8.0]]<br/>[[Zeus:Mathematica#9.0|9.0]] || ||  
 
|-
 
|-
−
| [[MATLAB]] || ||[[Mars:MATLAB#R2010b|R2010b]]<br> [[Mars:MATLAB#R2011b|R2011b]]<br> [[Mars:MATLAB#R2012a|R2012a]] || ||[[Zeus:Matlab#R2010b|R2010b]]<br>[[Zeus:Matlab#R2012a|R2012a]]<br>[[Zeus:Matlab#R2012b|R2012b]]<br>[[Zeus:Matlab#R2013b|R2013b]] || ||  
+
| [[MATLAB]] ||[[Mars:MATLAB#R2010b|R2010b]]<br> [[Mars:MATLAB#R2011b|R2011b]]<br> [[Mars:MATLAB#R2012a|R2012a]] || ||[[Zeus:Matlab#R2010b|R2010b]]<br>[[Zeus:Matlab#R2012a|R2012a]]<br>[[Zeus:Matlab#R2012b|R2012b]]<br>[[Zeus:Matlab#R2013b|R2013b]] || ||  
 
|-
 
|-
−
| [[Maple]] || || [[Mars:Maple#17|17]] || || [[Zeus:Maple#15|15]]<br> [[Zeus:Maple#17|17]]|| ||  
+
| [[Maple]] || [[Mars:Maple#17|17]] || || [[Zeus:Maple#15|15]]<br> [[Zeus:Maple#17|17]]|| ||  
 
|-
 
|-
−
| [[Meep]] || || || || [[Zeus:Meep#1.1.1|1.1.1]] || ||  
+
| [[Meep]] || || || [[Zeus:Meep#1.1.1|1.1.1]] || ||  
 
|-
 
|-
−
| [[Metis]] || || || || || ||  
+
| [[Metis]] || || || || ||  
 
|-
 
|-
−
| [[Mira]] || || || || [[Zeus:Mira#3.4.3|3.4.3]] || ||  
+
| [[Mira]] || || || [[Zeus:Mira#3.4.3|3.4.3]] || ||  
 
|-
 
|-
−
| [[Molcas]] || || || || [[Zeus:Molcas#7.4|7.4]] || ||  
+
| [[Molcas]] || || || [[Zeus:Molcas#7.4|7.4]] || ||  
 
|-
 
|-
−
| [[Molpro]] || || || ||[[Zeus:Molpro#2010.1-24|2010.1-24]] <br /> [[Zeus:Molpro#2010.1-25|2010.1-25]] <br /> [[Zeus:Molpro#2012.1-0|2012.1-0]] || ||  
+
| [[Molpro]] || || ||[[Zeus:Molpro#2010.1-24|2010.1-24]] <br /> [[Zeus:Molpro#2010.1-25|2010.1-25]] <br /> [[Zeus:Molpro#2012.1-0|2012.1-0]] || ||  
 
|-
 
|-
−
| [[MrBayes]] || || || || || ||  
+
| [[MrBayes]] || || || || ||  
 
|-
 
|-
−
| [[NAMD]] || || || ||[[Zeus:NAMD#2.7b2|2.7b2]] <br /> [[Zeus:NAMD#2.7b4|2.7b4]] <br /> [[Zeus:NAMD#2.8|2.8]] || [[Zeus_GPGPU:NAMD#2.7|2.7]] <br /> [[Zeus_GPGPU:NAMD#2.8|2.8]] <br /> [[Zeus_GPGPU:NAMD#2.9|2.9]] ||  
+
| [[NAMD]] || || ||[[Zeus:NAMD#2.7b2|2.7b2]] <br /> [[Zeus:NAMD#2.7b4|2.7b4]] <br /> [[Zeus:NAMD#2.8|2.8]] || [[Zeus_GPGPU:NAMD#2.7|2.7]] <br /> [[Zeus_GPGPU:NAMD#2.8|2.8]] <br /> [[Zeus_GPGPU:NAMD#2.9|2.9]] ||  
 
|-
 
|-
−
| [[NCARG]] || || || ||[[Zeus:NCARG#6.0.0|6.0.0]] || ||
+
| [[NCARG]] || || ||[[Zeus:NCARG#6.0.0|6.0.0]] || ||
 
|-
 
|-
−
| [[NWChem]] || || || ||colspan="2" align="center"|[[Zeus:NWChem#6.1|6.1]] ||
+
| [[NWChem]] || || ||colspan="2" align="center"|[[Zeus:NWChem#6.1|6.1]] ||
 
|-
 
|-
−
| [[OOMMF]] || || || || [[Zeus:OOMMF#1.2a4|1.2a4]]|| ||  
+
| [[OOMMF]] || || || [[Zeus:OOMMF#1.2a4|1.2a4]]|| ||  
 
|-
 
|-
−
| [[OpenFOAM]] || || || || [[Zeus:OpenFoam#1.7.1|1.7.1]]|| ||  
+
| [[OpenFOAM]] || || || [[Zeus:OpenFoam#1.7.1|1.7.1]]|| ||  
 
|-
 
|-
−
| [[ OPERA]] || || [[Mars:Opera|15]]|| || || ||  
+
| [[ OPERA]] || [[Mars:Opera|15]]|| || || ||  
 
|-
 
|-
−
| [[ORCA]] || || || || [[Zeus:ORCA#2.8|2.8]]|| ||  
+
| [[ORCA]] || || || [[Zeus:ORCA#2.8|2.8]]|| ||  
 
|-
 
|-
−
| [[Packmol]] || || || || [[Zeus:Packmol#1.1.0.68|1.1.0.68 ]] <br /> [[Zeus:Packmol#1.1.2.023|1.1.2.023 ]]|| ||  
+
| [[Packmol]] || || || [[Zeus:Packmol#1.1.0.68|1.1.0.68 ]] <br /> [[Zeus:Packmol#1.1.2.023|1.1.2.023 ]]|| ||  
 
|-
 
|-
−
| [[Paraver]] || || || || || [[Zeus_GPGPU:Paraver#4.3.2|4.3.2 ]] ||  
+
| [[Paraver]] || || || || [[Zeus_GPGPU:Paraver#4.3.2|4.3.2 ]] ||  
 
|-
 
|-
−
| [[Paraver-kernel]] || || || || || [[Zeus_GPGPU:Paraver-kernel#1.0|1.0 ]] ||  
+
| [[Paraver-kernel]] || || || || [[Zeus_GPGPU:Paraver-kernel#1.0|1.0 ]] ||  
 
|-
 
|-
−
| [[ParaView]] || || || ||[[Zeus:Paraview#3.8.1|3.8.1 ]] || ||  
+
| [[ParaView]] || || ||[[Zeus:Paraview#3.8.1|3.8.1 ]] || ||  
 
|-
 
|-
−
| [[POV-Ray]] || || || ||[[Zeus:POV-Ray#3.6|3.6 ]] || ||  
+
| [[POV-Ray]] || || ||[[Zeus:POV-Ray#3.6|3.6 ]] || ||  
 
|-
 
|-
−
| [[Quantum ESPRESSO]] || || || ||[[Zeus:Quantum_ESPRESSO#4.3.2|4.3.2 ]] || ||  
+
| [[Quantum ESPRESSO]] || || ||[[Zeus:Quantum_ESPRESSO#4.3.2|4.3.2 ]] || ||  
 
|-
 
|-
−
| [[Roche]] || || || ||[[Zeus:Roche#2.5.3|2.5.3 ]] || ||  
+
| [[Roche]] || || ||[[Zeus:Roche#2.5.3|2.5.3 ]] || ||  
 
|-
 
|-
−
| [[Rosetta]] || || || ||[[Zeus:Rosetta#3.3|3.3 ]] || ||  
+
| [[Rosetta]] || || ||[[Zeus:Rosetta#3.3|3.3 ]] || ||  
 
|-
 
|-
−
| [[SAS]] || ||[[SAS|9.3]] || || || ||  
+
| [[SAS]] ||[[SAS|9.3]] || || || ||  
 
|-
 
|-
−
| [[SIESTA]] || || || ||[[Zeus:SIESTA#3.0rc2|3.0rc2 ]] || ||  
+
| [[SIESTA]] || || ||[[Zeus:SIESTA#3.0rc2|3.0rc2 ]] || ||  
 
|-
 
|-
−
| [[SQLite]] || || || || colspan="2" align="center"|[[Zeus:SQLite#3.7.9|3.7.9]] ||
+
| [[SQLite]] || || || colspan="2" align="center"|[[Zeus:SQLite#3.7.9|3.7.9]] ||
 
|-
 
|-
−
| [[SRILM]] || || || ||[[SRILM|1.7.0 ]] || ||  
+
| [[SRILM]] || || ||[[SRILM|1.7.0 ]] || ||  
 
|-
 
|-
−
| [[SYBYL-X]] || ||[[Mars:Sybyl|1.2]] || || || ||  
+
| [[SYBYL-X]] ||[[Mars:Sybyl|1.2]] || || || ||  
 
|-
 
|-
−
| [[TeraChem]] || || || || || [[Zeus:TeraChem#1.45|1.45]] <br> [[Zeus:TeraChem#1.5|1.5]] ||  
+
| [[TeraChem]] || || || || [[Zeus:TeraChem#1.45|1.45]] <br> [[Zeus:TeraChem#1.5|1.5]] ||  
 
|-
 
|-
−
| [[TURBOMOLE]] || [[Baribal:TURBOMOLE#6.3.1|6.3.1]] || [[Mars:TURBOMOLE#6.3.1|6.3.1]] <br /> [[Mars:TURBOMOLE#6.4|6.4]] || || colspan="2" align="center"| [[Zeus:TURBOMOLE#6.3.1|6.3.1]] <br /> [[Zeus:TURBOMOLE#6.4|6.4]]<br /> [[Zeus:TURBOMOLE#6.5|6.5]] ||
+
| [[TURBOMOLE]] || [[Mars:TURBOMOLE#6.3.1|6.3.1]] <br /> [[Mars:TURBOMOLE#6.4|6.4]] || || colspan="2" align="center"| [[Zeus:TURBOMOLE#6.3.1|6.3.1]] <br /> [[Zeus:TURBOMOLE#6.4|6.4]]<br /> [[Zeus:TURBOMOLE#6.5|6.5]] ||
 
|-
 
|-
−
| [[Valgrind]] || || || || [[Zeus:Valgrind#3.7.0|3.7.0]] || ||  
+
| [[Valgrind]] || || || [[Zeus:Valgrind#3.7.0|3.7.0]] || ||  
 
|-
 
|-
−
| [[VASP]] || || || || [[Zeus:VASP#4.6|4.6]] <br\> [[Zeus:VASP#5.3.3|5.3.3]] || ||  
+
| [[VASP]] || || || [[Zeus:VASP#4.6|4.6]] <br\> [[Zeus:VASP#5.3.3|5.3.3]] || ||  
 
|-
 
|-
−
| [[WIEN2k]] || || || || [[WIEN2k|13.1]] || ||  
+
| [[WIEN2k]] || || || [[WIEN2k|13.1]] || ||  
 
|-
 
|-
−
| [[XCrySDen]] || || || || [[Zeus:XCrySDen#1.5.25|1.5.25]] || ||  
+
| [[XCrySDen]] || || || [[Zeus:XCrySDen#1.5.25|1.5.25]] || ||  
 
|-
 
|-
−
| [[XML-RPC-C]] || || || || [[Zeus:XML-RPC-C#1.16.26|1.16.26]] <br /> [[Zeus:XML-RPC-C#1.22.00|1.22.00]]|| ||  
+
| [[XML-RPC-C]] || || || [[Zeus:XML-RPC-C#1.16.26|1.16.26]] <br /> [[Zeus:XML-RPC-C#1.22.00|1.22.00]]|| ||  
  
 
|}
 
|}

Wersja z 07:42, 1 cze 2015

Pakiety obliczeniowe

Dostępne pakiety obliczeniowe i ich wersje
Pakiet Mars Panda Zeus Zeus vSMP Zeus GPGPU
ABAQUS 6.x 6.x 6.10
6.12
ABINIT 6.6.1
6.12.2
ACCELRYS MS-5.5
DS-3.0
ACES AcesII MAB(2005)
ADF 2008.01
2009.01		 2010.02
2012.01
2012.01c
2013.01
Amber 11
11-ib
11-abertools12		 11
Ansys 14.0
14.5		 13.0
14.0.3
14.5
15.0
ANSYS FLUENT 14.0
14.5		 14.0.0
14.5.7
15.0.0
Autodock 4.2.3
Blender 2.49b
2.65
Cadence 2009cdb
2009oa
2010cdb
2010oa
CASTEP 6.0.1
CFOUR 1.0
CP2K 2.1
2.3
2.4
2.5.1
CPMD 3.13-2
CRYSTAL CRYSTAL09 2.0.1
Dalton 2013.1
Desmond 3.0.3.1
DFT-D3 3.0.2
Elegant 25.0.3
FLUKA 2011.2
ForgeG 20110408
Galaxy-central
GAMESS 2010.R1
2012.R2 		2010.R1
2011.R1
Gaussian G03(D.01)
G09(A.02)
G09(C.01)
G09(D.01)		 G03(E.01) G03(E.01)
G09(A.02)
G09(C.01)
G09(D.01)
Gemini2
Genesis 2.3
Gromacs 4.5.3
Head_Refined
Hp2d-parallel-typhoon
HyperWorks 12.0
IM & IMa IM - 2009.12.17
IMa2 - 8.26.11
LAMMPS 30Sep11
26Oct12
Magpar 0.9
Mathematica 8.0<br\>9.0 8.0
9.0
MATLAB R2010b
R2011b
R2012a		 R2010b
R2012a
R2012b
R2013b
Maple 17 15
17
Meep 1.1.1
Metis
Mira 3.4.3
Molcas 7.4
Molpro 2010.1-24
2010.1-25
2012.1-0
MrBayes
NAMD 2.7b2
2.7b4
2.8		 2.7
2.8
2.9
NCARG 6.0.0
NWChem 6.1
OOMMF 1.2a4
OpenFOAM 1.7.1
OPERA 15
ORCA 2.8
Packmol 1.1.0.68
1.1.2.023
Paraver 4.3.2
Paraver-kernel 1.0
ParaView 3.8.1
POV-Ray 3.6
Quantum ESPRESSO 4.3.2
Roche 2.5.3
Rosetta 3.3
SAS 9.3
SIESTA 3.0rc2
SQLite 3.7.9
SRILM 1.7.0
SYBYL-X 1.2
TeraChem 1.45
1.5
TURBOMOLE 6.3.1
6.4		 6.3.1
6.4
6.5
Valgrind 3.7.0
VASP 4.6 <br\> 5.3.3
WIEN2k 13.1
XCrySDen 1.5.25
XML-RPC-C 1.16.26
1.22.00

Kompilatory

Dostępne kompilatory
Kompilator Baribal Mars Panda Zeus Zeus vSMP Zeus GPGPU
GNU 4.1.2 4.1.2
4.4.7
4.5.3
4.7.2
4.8.0
4.8.1
4.8.2
Intel 9.1
11.0
12.1
14.0		 10.1
11.0
11.1
12.0
12.1
Java 1.6.0_23
1.7.0_05
NVCC 4.0
Portland 11.6
11.8
12.10
13.3
13.5		 8.06
9.2
10.5
11.3
11.6
11.8
Python 2.7.2 (UCS2)
2.7.3 (UCS4)
Ruby 1.9.1-p376

Narzędzia i biblioteki

Narzędzia i biblioteki
Nazwa Baribal Mars Panda Zeus Zeus vSMP Zeus GPGPU
ACML 5.3.1
Allinea 4.0 4.0
ATLAS
BLACS
BLAS
Boost 1.41.0
1.54.0
CUDA 4.0.17
4.2.9
5.0.35
5.5.22
CUBLAS 4.0.17
CUFFT 4.0.17
CURAND 4.0.17
CUSPARSE 4.0.17
Dimemas 3.00.22
Extrae 2.2.1
FFTW 2.1.5
3.3.3
GCC 4.1.2
4.4.7
4.5.3
4.7.2
4.8.0
4.8.1
4.8.2
GLPK 4.47
Gnuplot 4.4.2
GSL 1.14
IMPI 3.2.2.006
Jed 0.99-19
LAPACK
MAGMA 1.0.0-rc5
MayaVi 1.5
MKL 10.1
10.3
11.1		 08.0.1
10.2.2.025
10.3
11.0
11.0.1
11.0.2
11.0.5
11.1.0
MPICH 1.2.7p1
Mpiexec 0.84
NPP 4.0.17
NAG NAG SMP Library NAG C, Fortan,
Parallel Library, DMC,
Toolbox for MATLAB		 NAG C, Fortan,
Parallel Library, DMC,
Toolbox for MATLAB
omniORB 4.1.6
OpenCL - - - - -
OpenMPI 1.4.3
1.4.5
1.6.0
PD-Toolkit 3.17
Pygame 1.9.1
QT 4.6.2
4.8.2
R 2.14.1
2.15.3
3.0.0
ROOT 5.24
SAILFISH 0.3
SCALAPACK
SCons 2.1.0
TAU 2.21.1
Visit 2.3.2
VTK 5.10.0
ZMQ 2.2.0
3.2.0
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