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Supercompuing Software
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1、Paid Software 

Software

Functional descriptions and uses

TotalView

Parallel Debugger

ParaWise

A semi-automatic tools in parallel program

PGI Compiler

PGI Compiler for Linux

Intel C/C++/ Fortran Compiler

Intel® C/C++/ Fortran Compiler for Linux

MKL

Computing science and engineering design of floating-point mathematic function library

IPP

Mathematic Function Library

VTUNE

Performance Optimization Tools

ADF

DFT calculation software

ANSYS LS-Dyna

Computational mechanicsfinite element analysis software

LSF

Activity-Based Management System Software

Molpro

Quantitative calculation of the electronic structure of high-precision software

MedeA VASP

First-principles molecular dynamics calculation software

AVSIDLTecplot

Visualization packages

Q-Chem Spartan

Computational chemistry software package

Matlab

Numerical software

TurboMole

Quantum chemistry calculation software

Wien2K

Computational chemistry / Computational Materials Science Software

Materials Studio

Computational Materials Science Software

CFXFluent

General CFD software package, engineering computing

ANSYS

Structural calculation package

Crystal

Materials Science package

 

2、Open Source Software

Category

Open source software

Basic Parallel

PETScAZTECTAOSUNDIALSFFTWLAPACKScalLAPACKPARPACKDOUG

Computational Chemistry

CPMDDOCK6AUTODOCKTINKERGAMESSGROMACSNAMDpolyrateEspressoNWChemDL_poly

Materials Science

ALCMDPSSPPDIPABINITLAMMPS

Bioinformatics

NCBI ToolkitBlastMPI_BlastFastaClustalWPhred-PhrapVELVETBlatEmbossWise2InterProScanCm2hmmMEMEWeederMfoldRNAfoldINFERNALInsPecTMrbayesBEASTHpype

Environmental Science

MM5WRFREGCM3CCSM3ECHAM5CAM3HYCOMPOPROMSLIS

Basic science

FPEGOpen CFDElmer

Visualization

ParaViewGMT

Computational Finance

QuantLib

3、Self-development Software

Category

Self-development Software

Grid Middleware

SCE, Scgrid Portal

Basic Parallel

PSEPSPMDFFTDFTADG

Materials Science

GetstructureMPI-PSSP

Bioinformatics

MPI_SiClonePara_AltSplicePara_MEMEPara_WeederP_InsPecT

Environmental Science

FGOALS RIEMSCUACE/dustGRAPESIAP-AGCMIAP-LICOM…

Computational Chemistry

GridMol、SCChemXian_CI CCSD-EOM3D BDFHONPAS

visualization

GrADs_WebLURR_TimeViewLURR_SpaceViewGeoModelGlobalVis

Earth Science

MPI_LURR

 

 

 

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