Oprogramowanie

Pakiety obliczeniowe

Dostępne pakiety obliczeniowe i ich wersje

Pakiet	Mars	Prometheus	Zeus	Zeus vSMP	Zeus GPGPU
ABAQUS	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	2014.05 2014.07	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		8.0	6.0.1
CFOUR			1.0
CP2K		2.6.1	2.1 2.3 2.4 2.5.1
CPMD			3.17-1	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) G09(A.02) G09(C.01) G09(D.01)
Gemini2
Genesis			2.3
Gromacs		4.6.5 5.0.4	4.5.3 4.6.5 5.0.4
Head_Refined
Hp2d-parallel-typhoon
IM & IMa			IM - 2009.12.17 IMa2 - 8.26.11
LAMMPS			30Sep11 26Oct12
Magpar			0.9
Mathematica	8.0 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		2.9	2.7b2 2.7b4 2.8	2.7 2.8 2.9
NCARG			6.0.0
NWChem			6.1
Octave		3.8.2	3.8.1
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		5.1.2	4.3.2
Roche			2.5.3
Rosetta			3.3
SAS	9.3		9.4
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	Mars	Prometheus	Zeus	Zeus vSMP	Zeus GPGPU
GNU	4.1.2	4.8.3 4.9.2 5.1.0	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	15.0.2	10.1 11.0 11.1 12.0 12.1 13.0.1 13.1.0 13.1.3 14.0
Java		1.7.0_80	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		2.7.5 2.7.9 (UCS4)	2.7.3 (UCS4) 2.7.3 (UCS4) 2.7.5 (UCS4) 2.7.9 (UCS4)
Ruby			1.9.1-p376

Narzędzia i biblioteki

Narzędzia i biblioteki

Nazwa	Mars	Prometheus	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		5.0.3	3.2.2.006 4.0.2 4.1.0 4.1.1
Jed			0.99-19
LAPACK
MAGMA				1.0.0-rc5
MayaVi				1.5
MKL	10.1 10.3 11.1	11.2.2	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 C, Fortan, Parallel Library, DMC, Toolbox for MATLAB		NAG C, Fortan, Parallel Library, DMC, Toolbox for MATLAB
omniORB			4.1.6
OpenCL	-	-	-		-
OpenMPI		1.6.5 1.8.4	1.4.3 1.4.5 1.6.0 1.6.5
PD-Toolkit			3.17
Pygame			1.9.1
QT		5.4.1	4.6.2 4.8.2
R		3.2.0	2.14.1 2.15.3 3.0.0 3.1.2
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