Oprogramowanie

Pakiety obliczeniowe

Dostępne pakiety obliczeniowe i ich wersje

Pakiet	Baribal	Mars	Panda	Zeus	Zeus vSMP	Zeus GPGPU
ABAQUS	6.x	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	13.0 14.0	14.0 14.5		13.0 14.0.3 14.5 15.0
ANSYS FLUENT	13.0 14.0	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
Zeus: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(E.01) G09(A.02)	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	6.3.1 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
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