Software: Różnice pomiędzy wersjami

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__TOC__
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Access to scientific software on [[Zeus_en. Zeus]] and [[Prometheus_en.|Prometheus]] clusters is handled by [[Modules_en.|Modules]] system. Available software is divided in there branches:
 +
* Computational scientific software - <tt>apps</tt>
 +
* Tools (including compilers) - <tt>tools</tt>
 +
* Libraries - <tt>libs</tt>
  
−
=== Computing software packages ===
+
List of installed software packages and documentation is available in [https://apps.plgrid.pl/ PLGrid Applications and Services Catalogue] (in Polish).
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{| class="wikitable sortable" style="text-align:center"
 
−
|+ Available computing software packages and their versions
 
−
! data-sort-type="text" |Package !! [[Baribal]] !! [[Mars]] !! [[Panda]] !! [[Zeus]] !! [[Zeus vSMP]] !! [[Zeus GPGPU]]
 
−
|-
 
−
| [[ABAQUS]] || [[Abaqus|6.x]] || [[Mars:Abaqus|6.x]] || [[Abaqus|6.x]] ||colspan="3" align="center"| [[Zeus:Abaqus#6.10|6.10]]
 
−
|-
 
−
| [[ABINIT]] || || || ||colspan="3" 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]]|| || || ||
 
−
|-
 
−
| [[ACES]] || ||[[Mars:ACES|AcesII]] || ||colspan="3" 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="3" align="center"| [[Zeus:ADF#2010.02|2010.02]] <br/> [[Zeus:ADF#2012.01|2012.01]] <br/> [[Zeus:ADF#2012.01c|2012.01c]]
 
−
|-
 
−
| [[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]] || [[Ansys|13.0<br/>14.0]] || ||colspan="3" align="center"| [[Zeus:ANSYS#13.0|13.0]] <br/> [[Zeus:ANSYS#14.0.3|14.0.3]]
 
−
|-
 
−
| [[ ANSYS FLUENT]] ||[[baribal:Fluent|13.0<br>14.0]] ||[[mars:Fluent|13.0<br>14.0]] || || colspan="3" align="center"| [[Zeus:ANSYS_Fluent#13.0.0|13.0.0]] <br/> [[Zeus:ANSYS_Fluent#14.0.0|14.0.0]]
 
−
|-
 
−
| [[Autodock]] || || || || [[Zeus:Autodock#4.2.3|4.2.3]] || ||
 
−
|-
 
−
| [[Blender]] || || || || [[Zeus:Blender#2.49b|2.49b]] || ||
 
−
|-
 
−
| [[Cadence]] || || || || [[Zeus:Cadence#2009cdb|2009cdb]] <br/> [[Zeus:Cadence#2009oa|2009oa]] <br/> [[Zeus:Cadence#2010cdb|2010cdb]] <br/> [[Zeus:Cadence#2010oa|2010oa]]|| ||
 
−
|-
 
−
| [[CASTEP]] || || || || [[Zeus:CASTEP#6.0.1|6.0.1]] || ||
 
−
|-
 
−
| [[CFOUR]] || || || ||colspan="3" align="center"| [[Zeus:CFOUR#1.0|1.0]]
 
−
|-
 
−
| [[CP2K]] || || || || [[Zeus:CP2K#2.1|2.1]] || ||
 
−
|-
 
−
| [[CPMD]] || || || || [[Zeus:CPMD#3.13-2|3.13-2]] || ||
 
−
|-
 
−
| [[Dalton]] || || || || [[Zeus:Dalton#2.0|2.0]] || ||
 
−
|-
 
−
| [[Desmond]] || || || || [[Zeus:Desmond#3.0.3.1|3.0.3.1]] || ||
 
−
|-
 
−
| [[Elegant]] || || || || [[Zeus:Elegant#25.0.3|25.0.3]] || ||
 
−
|-
 
−
| [[FLUKA]] || || || || [[FLUKA|2011.2]] || ||
 
−
|-
 
−
| [[ForgeG]] || || || || || [[Zeus:Elegant#20110408|20110408]] ||
 
−
|-
 
−
| [[Galaxy-central]] || || || || || ||
 
−
|-
 
−
| [[GAMESS]] || || || ||colspan="2" align="center"| [[Zeus:GAMESS#2010.R1|2010.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)]]
 
−
|| [[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)]]|| ||
 
−
|-
 
−
| [[Gemini2]] || || || || || ||
 
−
|-
 
−
| [[Genesis]] || || || || colspan="3" align="center"|[[Zeus:GENESIS#2.3|2.3]]
 
−
|-
 
−
| [[Gromacs]] || || || ||colspan="2" align="center"|[[Zeus:Gromacs#4.5.3|4.5.3]]||
 
−
|-
 
−
| [[Head_Refined]] || || || || || ||
 
−
|-
 
−
| [[Hp2d-parallel-typhoon]] || || || || || ||
 
−
|-
 
−
| [[IM & IMa]] || || || || || ||
 
−
|-
 
−
| [[LAMMPS]] || || || || colspan="3" align="center"|[[Zeus:LAMMPS#30Sep11|30Sep11]]<br>[[Zeus:LAMMPS#26Oct12|26Oct12]]
 
−
|-
 
−
| [[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]] || ||
 
−
|-
 
−
| [[MATLAB]] || ||[[Mars:MATLAB#R2010b|R2010b]]<br> [[Mars:MATLAB#R2011b|R2011b]]<br> [[Mars:MATLAB#R2012a|R2012a]] || ||[[Zeus:MATLAB#R2010b|R2010b]]<br>[[Zeus:MATLAB#R2012a|R2012a]] || ||
 
−
|-
 
−
| [[Maple]] || || [[Mars:Maple#14|14]] || || [[Zeus:Maple#14|14]]<br> [[Zeus:Maple#15|15]]<br> || ||
 
−
|-
 
−
| [[Meep]] || || || || [[Zeus:Meep#1.1.1|1.1.1]] || ||
 
−
|-
 
−
| [[Metis]] || || || || || ||
 
−
|-
 
−
| [[Mira]] || || || || [[Zeus:Mira#3.4.3|3.4.3]] || ||
 
−
|-
 
−
| [[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]] || ||
 
−
|-
 
−
| [[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]] ||
 
−
|-
 
−
| [[NCARG]] || || || ||[[Zeus:NCARG#6.0.0|6.0.0]] || ||
 
−
|-
 
−
| [[NWChem]] || || || ||colspan="3" align="center"|[[Zeus:NWChem#6.1|6.1]]
 
−
|-
 
−
| [[OOMMF]] || || || || [[Zeus:OOMMF#1.2a4|1.2a4]]|| ||
 
−
|-
 
−
| [[OpenFOAM]] || || || || [[Zeus:OpenFoam#1.7.1|1.7.1]]|| ||
 
−
|-
 
−
| [[ OPERA]] || || [[Mars:Opera|15]]|| || || ||
 
−
|-
 
−
| [[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 ]]|| ||
 
−
|-
 
−
| [[Paraver]] || || || || || [[Zeus_GPGPU:Paraver#4.3.2|4.3.2 ]] ||
 
−
|-
 
−
| [[Paraver-kernel]] || || || || || [[Zeus_GPGPU:Paraver-kernel#1.0|1.0 ]] ||
 
−
|-
 
−
| [[ParaView]] || || || ||[[Zeus:Paraview#3.8.1|3.8.1 ]] || ||
 
−
|-
 
−
| [[POV-Ray]] || || || ||[[Zeus:POV-Ray#3.6|3.6 ]] || ||
 
−
|-
 
−
| [[Quantum ESPRESSO]] || || || ||[[Zeus:Quantum_ESPRESSO#4.3.2|4.3.2 ]] || ||
 
−
|-
 
−
| [[Roche]] || || || ||[[Zeus:Roche#2.5.3|2.5.3 ]] || ||
 
−
|-
 
−
| [[Rosetta]] || || || ||[[Zeus:Rosetta#3.3|3.3 ]] || ||
 
−
|-
 
−
| [[SAS]] || ||[[SAS|9.3]] || || || ||
 
−
|-
 
−
| [[SIESTA]] || || || ||[[Zeus:SIESTA#3.0rc2|3.0rc2 ]] || ||
 
−
|-
 
−
| [[SQLite]] || || || || colspan="3" align="center"|[[Zeus:SQLite#3.7.9|3.7.9]]
 
−
|-
 
−
| [[SRILM]] || || || ||[[SRILM|1.7.0 ]] || ||
 
−
|-
 
−
| [[SYBYL-X]] || ||[[Mars:Sybyl|1.2]] || || || ||
 
−
|-
 
−
| [[TeraChem]] || || || || || [[Zeus:TeraChem#1.45|1.45]] <br> [[Zeus:TeraChem#1.5|1.5]] ||
 
−
|-
 
−
| [[Turbomole]] || || || || [[Zeus:Turbomole#6.3.1|6.3.1]] <br /> [[Zeus:Turbomole#6.4|6.4]] || ||
 
−
|-
 
−
| [[Valgrind]] || || || || [[Zeus:Valgrind#3.7.0|3.7.0]] || ||
 
−
|-
 
−
| [[Vasp]] || || || || [[Zeus:Vasp#4.6|4.6]] || ||
 
−
|-
 
−
| [[WIEN2k]] || || || || [[WIEN2k|12.1]] || ||
 
−
|-
 
−
| [[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]]|| ||
 
−
 
 
−
|}
 
−
 
 
−
=== Compilers ===
 
−
 
 
−
{| class="wikitable sortable" style="text-align:center"
 
−
|+ Available compilers
 
−
! data-sort-type="text" |Compiler !! [[Baribal]] !! [[Mars]] !! [[Panda]] !! [[Zeus]] !! [[Zeus vSMP]] !! [[Zeus GPGPU]]
 
−
|-
 
−
| [[Zeus:GNU|GNU]] || || || || [[Zeus:GNU#4.1.2|4.1.2 ]]<br>[[Zeus:GNU#4.5.3|4.5.3 ]] || ||
 
−
|-
 
−
| [[Zeus:Intel|Intel]] || || || || [[Zeus:Intel#10.1|10.1 ]]<br>[[Zeus:Intel#11.0|11.0 ]]<br>[[Zeus:Intel#11.1|11.1 ]]<br>[[Zeus:Intel#12.1|12.0 ]]<br>[[Zeus:Intel#12.1|12.1 ]] || ||
 
−
|-
 
−
| [[Zeus:Java|Java]] || || || || [[Zeus:Java#1.6.0_23|1.6.0_23 ]]<br>[[Zeus:Java#1.7.0_05|1.7.0_05 ]] || ||
 
−
|-
 
−
| [[NVCC]] || || || || || [[Zeus_GPGPU:NVCC#4.0|4.0]] ||
 
−
|-
 
−
| [[Portland]] || || || ||[[Zeus:Portland#8.06|8.06 ]] <br /> [[Zeus:Portland#9.2|9.2 ]] <br /> [[Zeus:Portland#10.5|10.5 ]] <br /> [[Zeus:Portland#11.3|11.3 ]] <br /> [[Zeus:Portland#11.6|11.6 ]] <br /> [[Zeus:Portland#11.8|11.8 ]] <br /> [[Zeus:Portland|11.6 ]] <br />|| ||
 
−
|-
 
−
| [[Python]] || || || ||[[Zeus:Python#2.7.2|2.7.2 (UCS2)]] <br />  [[Zeus:Python#2.7.3|2.7.3 (UCS4)]] || ||
 
−
|-
 
−
| [[Ruby]] || || || || [[Zeus:Ruby#1.9.1-p376|1.9.1-p376 ]]|| ||
 
−
|}
 
−
 
 
−
=== Tools and libraries  ===
 
−
 
 
−
{| class="wikitable sortable" style="text-align:center"
 
−
|+ Tools and libraries
 
−
!! data-sort-type="text"|Name !! [[Baribal]] !! [[Mars]] !! [[Panda]] !! [[Zeus]] !! [[Zeus vSMP]] !! [[Zeus GPGPU]]
 
−
|-
 
−
| [[ATLAS]] || || || || || ||
 
−
|-
 
−
| [[BLACS]] || || || || || ||
 
−
|-
 
−
| [[BLAS]] || || || || || ||
 
−
|-
 
−
| [[Boost]] || || || || || ||
 
−
|-
 
−
| [[CUDA]] || || || || || [[Zeus_GPGPU:CUDA#4.0.17|4.0.17]] ||
 
−
|-
 
−
| [[CUBLAS]] || || || || || [[Zeus_GPGPU:CUBLAS#4.0.17|4.0.17]] ||
 
−
|-
 
−
| [[CUFFT]] || || || || || [[Zeus_GPGPU:CUFFT#4.0.17|4.0.17]] ||
 
−
|-
 
−
| [[CURAND]] || || || || || [[Zeus_GPGPU:CURAND#4.0.17|4.0.17]] ||
 
−
|-
 
−
| [[CUSPARSE]] || || || || || [[Zeus_GPGPU:CUSPARSE#4.0.17|4.0.17]] ||
 
−
|-
 
−
| [[Dimemas]] || || || || || [[Zeus_GPGPU:Dimemas#3.00.22|3.00.22]] ||
 
−
|-
 
−
| [[Extrae]] || || || || [[Zeus:Extrae#2.2.1|2.2.1]] || ||
 
−
|-
 
−
| [[FFTW]] || || || || colspan="3" align="center"|[[Zeus:FFTW#3.2.2|3.2.2]] <br /> [[Zeus:FFTW#3.3.2|3.3.2]]
 
−
|-
 
−
| [[GCC]] || || || || colspan="3" align="center"|[[Zeus:GCC#4.1.2|4.1.2]] <br /> [[Zeus:GCC#4.5.3|4.5.3]]
 
−
|-
 
−
| [[GLPK]] || || || || colspan="3" align="center"|[[Zeus:GLPK#4.47|4.47]]
 
−
|-
 
−
| [[Gnuplot]] || || || || colspan="3" align="center"|[[Zeus:Gnuplot#4.4.2|4.4.2]]
 
−
|-
 
−
| [[GSL]] || || || || colspan="3" align="center"|[[Zeus:GSL#1.14|1.14]]
 
−
|-
 
−
| [[IMPI]] || || || || colspan="3" align="center"|[[Zeus:IMPI#3.2.2.006|3.2.2.006]]
 
−
|-
 
−
| [[Jed]] || || || || [[Zeus:Jed#0.99-19|0.99-19]] || ||
 
−
|-
 
−
| [[LAPACK]] || || || || || ||
 
−
|-
 
−
| [[MAGMA]] || || || || || [[Zeus:MAGMA#1.0.0-rc5|1.0.0-rc5]] ||
 
−
|-
 
−
| [[MayaVi]] || || || || || [[Zeus:MayaVi#1.5|1.5]] ||
 
−
|-
 
−
| [[MKL]] || || || || colspan="3" align="center"|[[Zeus:MKL#08.0.1|08.0.1]] <br /> [[Zeus:MKL#10.2.2.025|10.2.2.025]] <br /> [[Zeus:MKL#10.3|10.3]]
 
−
|-
 
−
| [[MPICH]] || || || || colspan="3" align="center"|[[Zeus:MPICH#1.2.7p1|1.2.7p1]]
 
−
|-
 
−
| [[Mpiexec]] || || || || colspan="3" align="center"|[[Zeus:Mpiexec#0.84|0.84]]
 
−
|-
 
−
| [[NPP]] || || || || || [[Zeus:NPP#4.0.17|4.0.17]] ||
 
−
|-
 
−
| [[NAG]] || [[Baribal:Nag|mark 21]]|| [[Nag|23]]||| || ||  ||
 
−
|-
 
−
| [[omniORB]] || || || || [[Zeus:omniORB#4.1.6|4.1.6]] || ||
 
−
|-
 
−
| [[OpenCL]] || - || - || - || - || || -
 
−
|-
 
−
| [[OpenMPI]] || || || || colspan="3" align="center"|[[Zeus:OpenMPI#1.4.3|1.4.3]] <br /> [[Zeus:OpenMPI#1.4.5|1.4.5]] <br /> [[Zeus:OpenMPI#1.6.0|1.6.0]]
 
−
|-
 
−
| [[PD-Toolkit]] || || || ||[[Zeus:PD-Toolkit#3.17|3.17 ]] || ||
 
−
|-
 
−
| [[Pygame]] || || || || colspan="3" align="center"|[[Zeus:Pygame#1.9.1|1.9.1]]
 
−
|-
 
−
| [[QT]] || || || || colspan="3" align="center"|[[Zeus:QT#4.6.2|4.6.2]] <br />[[Zeus:QT#4.8.2|4.8.2]]
 
−
|-
 
−
| [[R]] || || || || colspan="3" align="center"|[[Zeus:R#2.14.1|2.14.1]]
 
−
|-
 
−
| [[ROOT]] || || || ||[[Zeus:ROOT#5.24|5.24 ]] || ||
 
−
|-
 
−
| [[SAILFISH]] || || || || || [[Zeus:Sailfish#0.3|0.3]] ||
 
−
|-
 
−
| [[SCALAPACK]] || || || || || ||
 
−
|-
 
−
| [[SCons]] || || || || [[Zeus:SCons#2.1.0|2.1.0]] || ||
 
−
|-
 
−
| [[TAU]] || || || || [[Zeus:TAU#2.21.1|2.21.1]] || ||
 
−
|-
 
−
| [[Visit]] || || || || [[Zeus:Visit#2.3.2|2.3.2]] || ||
 
−
|-
 
−
| [[VTK]] || || || || colspan="3" align="center"| [[Zeus:VTK#5.10.0|5.10.0]]
 
−
|-
 
−
| [[ZMQ]] || || || || [[Zeus:ZMQ#2.2.0|2.2.0]] <br /> [[Zeus:ZMQ#3.2.0|3.2.0]] || ||
 
−
|}
 

Wersja z 10:50, 6 lip 2016

Access to scientific software on Zeus_en. Zeus and Prometheus clusters is handled by Modules system. Available software is divided in there branches:

  • Computational scientific software - apps
  • Tools (including compilers) - tools
  • Libraries - libs

List of installed software packages and documentation is available in PLGrid Applications and Services Catalogue (in Polish).

Źródło: „https://kdm.cyfronet.pl/mediawiki/index.php?title=Software&oldid=1956”