Oprogramowanie: Różnice pomiędzy wersjami

Wersja z 07:24, 2 sie 2012

Spis treści

1 Aplikacje
2 Kompilatory
3 Narzędzia i biblioteki

Aplikacje

Dostępne aplikacje i ich wersje
Aplikacja	Baribal	Mars	Panda	Zeus	Zeus GPGPU
ABAQUS	6.x	6.x	6.x	6.10
ABINIT				2.0
ACES				2
ADF				2010.02
AMBER				11
ANSYS				13.0.0 14.0.0
ANSYS Fluent				13.0.0 14.0.0
Autodock				4.2.3
Blender				2.49b
Cadence				2009cdb 2009oa 2010cdb 2010oa
CFOUR				1.0
CP2K				2.1
CPMD				3.13-2
Dalton				2.0
Desmond				3.0.3.1
Dimemas					3.00.22
Elegant				25.0.3
ForgeG					20110408
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		R2010b R2012a
Maple		14		14 15
Metis
Mira
Molpro				2010.1-24
MrBayes
NAMD				2.7b2	2.7 2.8
NWChem				6.1
OpenFOAM				1.7.1
OOMMF				1.2a4
Packmol				1.1.0.68
ParaView				3.2.7
POV-Ray				3.6
Quantum ESPRESSO				4.3.2
Rosetta				3.3
SQLite				3.7.9
Turbomole
TeraChem					1.45 1.5

Kompilatory

Dostępne kompilatory
Kompilator	Zeus	Zeus GPGPU
GNU	4.1.2 4.5.3
Intel	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
Python	2.7
Ruby	1.9.1-p376

Narzędzia i biblioteki

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				3.2.2 3.3.2
GCC
GLPK				4.47
LAPACK
MAGMA					1.0.0-rc5
MKL
NPP					4.0.17
OpenCL	-	-	-	-		-
QT
R				2.14.1
SAILFISH					0.3
SCALAPACK
SCons
Visit

@@ Linia 17: / Linia 17: @@
 | [[AMBER]] || || || ||colspan="2" align="center"| [[Zeus:AMBER|11]] ||
 |-
-| [[ANSYS]] || || || ||colspan="3" align="center"| [[Zeus:ANSYS|13]] <br/> [[Zeus:ANSYS|14]]
+| [[ANSYS]] || || || ||colspan="3" align="center"| [[Zeus:ANSYS|13.0.0]] <br/> [[Zeus:ANSYS|14.0.0]]
 |-
-| [[ANSYS Fluent]] || || || || || ||
+| [[ANSYS Fluent]] || || || || colspan="3" align="center"| [[Zeus:ANSYS_Fluent|13.0.0]] <br/> [[Zeus:ANSYS_Fluent|14.0.0]]
 |-
 | [[Autodock]] || || || || [[Zeus:Autodock|4.2.3]] || ||
@@ Linia 25: / Linia 25: @@
 | [[Blender]] || || || || [[Zeus:Blender|2.49b]] || ||
 |-
-| [[Cadence]] || || || || [[Zeus:Cadence|2009cdb]] <br/> [[Zeus:Cadence|2009oa]] <br/> [[Zeus:Cadence|2010cdb]] <br/> [[Zeus:Cadence|2010oa]]|| ||
+| [[Cadence]] || || || || [[Zeus:Cadence#2009cdb|2009cdb]] <br/> [[Zeus:Cadence#2009oa|2009oa]] <br/> [[Zeus:Cadence#2010cdb|2010cdb]] <br/> [[Zeus:Cadence#2010oa|2010oa]]|| ||
 |-
-| [[CFOUR]] || || || || [[Zeus:CFOUR|1.0]] || ||
+| [[CFOUR]] || || || || [[Zeus:CFOUR#1.0|1.0]] || ||
 |-
-| [[CP2K]] || || || || [[Zeus:CP2K|2.1]] || ||
+| [[CP2K]] || || || || [[Zeus:CP2K#2.1|2.1]] || ||
 |-
-| [[CPMD]] || || || || [[Zeus:CPMD|3.13-2]] || ||
+| [[CPMD]] || || || || [[Zeus:CPMD#3.13-2|3.13-2]] || ||
 |-
-| [[Dalton]] || || || || [[Zeus:Dalton|2.0]] || ||
+| [[Dalton]] || || || || [[Zeus:Dalton#2.0|2.0]] || ||
 |-
-| [[Desmond]] || || || || [[Zeus:Desmond|3.0.3.1]] || ||
+| [[Desmond]] || || || || [[Zeus:Desmond#3.0.3.1|3.0.3.1]] || ||
 |-
-| [[Dimemas]] || || || || || [[Zeus_GPGPU:Dimemas|3.00.22]] ||
+| [[Dimemas]] || || || || || [[Zeus_GPGPU:Dimemas#3.00.22|3.00.22]] ||
 |-
-| [[Elegant]] || || || || [[Zeus:Elegant|25.0.3]] || ||
+| [[Elegant]] || || || || [[Zeus:Elegant#25.0.3|25.0.3]] || ||
 |-
-| [[ForgeG]] || || || || || ||
+| [[ForgeG]] || || || || || [[Zeus:Elegant#20110408|20110408]] ||
 |-
 | [[Galaxy-central]] || || || || || ||
 |-
-| [[GAMESS]] || || || || 2009.R3<br>2010.R1<br>2010.R1-eth<br>2010.R1-ib|| 2010.R1<br>2011.R1 ||
+| [[GAMESS]] || || || || [[Zeus:GAMESS#2009.R3|2009.R3]]<br>[[Zeus:GAMESS#2010.R1|2010.R1]]<br>[[Zeus:GAMESS#2010.R1-eth|2010.R1-eth]]<br>[[Zeus:GAMESS#2010.R1-ib|2010.R1-ib]]|| [[Zeus_GPGPU:GAMESS#2010.R1|2010.R1]]<br>[[Zeus_GPGPU:GAMESS#2011.R1|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)]]<br>[[Zeus:Gaussian#G09.C.01|G09(C.01)]]
@@ Linia 93: / Linia 93: @@
 |-
 | [[POV-Ray]] || || || ||[[Zeus:POV-Ray|3.6 ]] || ||
+|-
+| [[Quantum ESPRESSO]] || || || ||[[Zeus:Quantum_ESPRESSO|4.3.2 ]] || ||
 |-
 | [[Rosetta]] || || || ||[[Zeus:Rosetta|3.3 ]] || ||
@@ Linia 149: / Linia 151: @@
 | [[CUSPARSE]] || || || || || 4.0.17 ||
 |-
-| [[FFTW]] || || || || || ||
+| [[FFTW]] || || || || colspan="3" align="center"|[[Zeus:FFTW#3.2.2|3.2.2]] <br /> [[Zeus:FFTW#3.3.2|3.3.2]]
 |-
 | [[GCC]] || || || || || ||