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Research Software Training
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- If you have general questions about using ITS-owned research software, or would like assistance in selecting the best program(s) for your needs, send email to hpc@nyu.edu.
- In addition to the software listed here, ITS also provides high performance and computational hardware resources for NYU researchers.
- ITS provides anti-virus, anti-spyware, and connectivity software (e.g., web browsers, file transfer programs) via the ITS Software site. The NYU Libraries provide a variety of software tools for bibliographic management.
International Mathematica User Conference
Mathematica will be hosting its annual User Conference this October 23-25 in Champaign, Illinois. For more information, visit the Wolfram website.
ITS offers a wide variety of research computing software for use by NYU faculty and researchers. Some is available on ITS computers, some can be purchased as part of NYU's site licenses, and some can be checked out for use on personal computers. See below for details, or send email to hpc@nyu.edu for general research computing assistance.
ABINIT
www.abinit.org Accessing ABINITTo request access to ABINIT, send email to hpc@nyu.edu. To start ABINIT, type the following on the command line: module load abinit |
ADF
http://www.scm.com/ Accessing ADFTo request access to ADF, send email to hpc@nyu.edu. |
Amber 9
http://amber.scripps.edu/ A user's manual for Amber 9 containing tutorials is available on the Amber website. Sander is the Amber module that carries out energy minimumization, molecular dynamics, and NMR refinements. Only Sander-based executables are parallelized. Accessing AmberTo request access to Amber, send email to hpc@nyu.edu. To start Amber, type the following on the command line: module load amber |
Amos
www.spss.com/amos/ Accessing AmosNYU-licensed copies of Amos software are available for purchase by NYU faculty, administrators, staff, and matriculated graduate students. See the Research Software Licenses page for more information. Amos is also available for use on several ITS-owned computers; send email to data.service@nyu.edu to request access. |
ArcGIS, ArcIMS & ArcPadwww.esri.com/products.html For more information and to obtain the software from ITS, please attend one of our GIS Clinics or send email to data.service@nyu.edu. Additional information about ArcGIS is available on the ArcGIS website. ArcIMS ArcPad Accessing ESRI SoftwareCopies of the ESRI software packages described above are available at no cost to NYU faculty and their students, and are installed on ITS systems. To obtain copies, attend a GIS Clinic, send email to data.service@nyu.edu or call 212-998-3398. |
ATLAS.ti
www.atlasti.com/ Accessing ATLAS.tiATLAS.ti is available for use on ITS systems; to request access, send email to data.service@nyu.eduor call 212-998-3398. |
FreewareITS provides and/or supports the following freeware packages. Contact hpc@nyu.edu for more information. For Text Writing & Editing
For Compiling Code
Graphics Packages
Image Viewers (for Molecular Modeling):
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CPMD
www.cpmd.org/cpmd_download.html Accessing CPMDTo request access to CPMD, send email to hpc@nyu.edu. |
GAMESS -UK
www.cfs.dl.ac.uk Accessing GAMESS -UKTo request access to GAMESS -UK, send email to hpc@nyu.edu. To start GAMESS -UK, type the following on the command line: |
Gaussian 03
www.gaussian.com Accessing Gaussian 03To request access to Gaussian 03, send email to hpc@nyu.edu. To start Gaussian 03, type the following on the command line: |
GaussView
www.gaussian.com/gv_plat.htm Accessing GaussViewTo request access to GaussView, send email to hpc@nyu.edu. To start GaussView, type the following on the command line: |
GeoLytics
www.geolytics.com/ Accessing GeoLyticsGeoLytics is available for use on ITS systems; to request access, send email to data.service@nyu.eduor call 212-998-3398. |
GRASS http://grass.itc.it/GRASS is an open source software package that was originally developed by the U.S. Army Corps of Engineers Construction Engineering Research Laboratory (CERL) in Champaign, Illinois. It provides for "geospatial data management and analysis, image processing, graphics/maps production, spatial modeling, and visualization" and has interfaces to the external databases PostgreSQL and MySQL. |
GROMACS![]() www.gromacs.org Accessing GROMACSTo request access to GROMACS, send email to hpc@nyu.edu. To start GROMACS, type the following on the command line: |
Hierarchical Linear and Nonlinear Modeling (HLM)
www.ssicentral.com/hlm/ Accessing HLMHLM is available for use on ITS systems; to request access, send email to data.service@nyu.eduor call 212-998-3398. |
Insight II![]() www.accelrys.com/products/insight/ Accessing Insight IITo request access to Insight II, send email to hpc@nyu.edu. To initialize Insight II, type the following on the command line: source /local/msi/cshrc |
JChem
www.chemaxon.com/jchem/intro/ Accessing JChemTo request access to JChem, send email to hpc@nyu.edu. |
LISREL
www.ssicentral.com/lisrel/ Accessing LISRELLISREL is available for use on ITS systems; to request access, send email to data.service@nyu.eduor call 212-998-3398. |
MapInfo![]() www.mapinfo.com/ Accessing MapInfoMapInfo is available for use on ITS systems; to request access, send email to data.service@nyu.eduor call 212-998-3398. NYU also has a very liberal MapInfo license which allows for temporary installation on student laptop computers and for deployment on an instructor's single computer for the purposes of development of their curriculum. |
Maple![]() www.maplesoft.com Accessing MapleA permanent license for Maple is shared by ITS and the Courant Institute of Mathematical Sciences, and is available from accounts on NYU CIMS Computers and CDs are available for all platforms by request: hpc@nyu.edu. To initialize Maple11 (for both the command line and the graphics interface), type: |
Marvin![]() www.chemaxon.com/product/marvin_land.html Marvin software is free for academic use and combines three packages:
There are 28 plugins for the above packages developed in seven functional areas: calculations in protonation, electrostatics, molecular dynamics, isomers, conformation, Huckel anlysis, geometry and topology. For a full list of plugins and instructions, send email to hpc@nyu.edu Accessing MarvinTo request access to Marvin, send email to hpc@nyu.edu. |
Mathematica![]() www.wolfram.com Accessing MathematicaNYU has a campus-wide site license for Mathematica 6 which permits qualified faculty, staff and post doctoral students to purchase discounted annual licenses to use the software on University-owned computers. Network and single user licenses are available for all platforms. The Physics Department, Courant Institute, Center for Neural Sciences, Politics, ITS, and the ITS Multimedia Center have network licenses. Single user licenses can be purchased from ITS. A home-use license is provided free of charge to purchasers of single licenses. Network managers can obtain home-use licenses for some network users. See the Research Software Licenses page for more information. |
Matlab![]() www.mathworks.com Matlab features a family of application specific solutions called Toolboxes. The Toolboxes available, and the number of each are: Bioinformatics (26), Compiler (25), Control Toolbox (6), Data Acquisition (5), Database (2), Financial (3), GADS (2), Image Acquisition (6), Instrument Control (6), Identification (25), Image (20), Mapping (6), Builder for Java (1), Neural Network (1), Optimization (25), PDE (2), Robust Toolbox (2), Simulink Control Design (2), Signal (25), Symbolic (25), Statistics (37), and Wavelet (1). Accessing MatlabNYU has a permanent network license for Matlab which is shared by CIMS and ITS. The latest version installed is 19. The software is available on computers at CIMS, Physics, Politics, Economics, and the ITS Multimedia Center. Single User CDs are available by request to hpc@nyu.edu, or the software can be downloaded from the Matlab website: www.mathworks.com. Send email to hpc@nyu.edu to request an installation key for single user usage. NYU's license allows up to 145 simultaneous Matlab sessions; since NYU has a network license, all users must check out a license from the license server (hilbert.acs.its.nyu.edu). For assistance with using an ITS/CIMS license, send email to hpc@nyu.edu. |
National Algorithms Group (NAG)![]() www.nag.co.uk A Fortran Library of routines is available for the following (and others):
The IRIS Explorer Package has subroutines for visualization. Accessing NAGA license for NAG software is shared by ITS and the Courant Institute of Mathematical Sciences; it includes the Parallel Library and all the Fortran and C Libraries. The software is installed on the CIMS computers; to request access, send an email request to hpc@nyu.edu. |
National Center for Atmospheric Research (NCAR)![]() www.ncar.ucar.edu Accessing NCARNCAR software is available on CIMS computers and on some of ITS' computers. For information on how to access NCAR, send an email request to hpc@nyu.edu. |
nQuery Advisor
www.statsol.ie/html/nquery/nquery_home.html Accessing nQuery AdvisornQuery Advisor is available for use on ITS systems; to request access, send email to data.service@nyu.eduor call 212-998-3398. |
Numerical Recipes
Numerical Recipes: The Art of Scientific Computing is a book published by the Cambridge University Press that includes about 200 mathematical subroutines. For each subroutine, the code (in Fortran or C) and a discussion is included. The code (available electronically) can be incorporated in a user's program as a subroutine. Typical topics are: Solutions of linear algebraic equations, interpolation and extrapolation, special functions, random numbers, root finding, eigenvalues, Fourier transforms, statistical descriptions of data, integration of Ordinary Differential Equations (ODE), 2-point boundary value problems, and Partial Differential Equations (PDE). Accessing Numerical RecipesA copy of this book is available through ITS. Send an email request to hpc@nyu.edu for more information. |
NWChem
www.emsl.pnl.gov/docs/nwchem/nwchem.html Accessing NWChemTo request access to NWChem, send email to hpc@nyu.edu. |
R
www.r-project.org/ Accessing RR is available for use on ITS systems; to request access, send email to data.service@nyu.eduor call 212-998-3398. |
Remark Office OMR
www.gravic.com/remark/officeomr/ Accessing Remark Office OMRRemark Office OMR is available for use on ITS systems; to request access, send email to data.service@nyu.eduor call 212-998-3398. |
SAS
www.sas.com Accessing SASNYU-licensed copies of SAS software are available for purchase by NYU faculty, administrators, staff, and matriculated graduate students. See the Research Software Licenses page for more information. SAS is also available for use on several ITS-owned computers; send email to data.service@nyu.eduto request access. |
Schrodinger![]() www.schrodinger.com The Molecular Modeling modules included in the Schrodinger package and available within Maestro are listed below. Any of these modules can be started within Schrodinger's GUI.
Accessing SchrodingerTo request access to Schrodinger, send email to hpc@nyu.edu. To start Schrodinger, type the following on the command line: module load schrodinger |
Scientific Word
www.mackichan.com/ Accessing Scientific WordScientific Word is available for use on ITS systems; to request access, send email to data.service@nyu.eduor call 212-998-3398. |
Sequinwww.ncbi.nlm.nih.gov/Sequin/ Accessing SequinTo request access to Sequin, send email to hpc@nyu.edu. The code sequin.f is written in Fortran and can be compiled to obtain the executable file. A Macintosh version is also available. The code is interactive and has a HELP command which lists all the available commands. A description of the instructions appears in the file sequin.book. Two files, MOLDES.DAT and RSITES.DAT are required to run the program. |
SPSS
www.spss.com Accessing SPSSNYU-licensed copies of SPSS software are available for purchase by NYU faculty, administrators, staff, and matriculated graduate students. See the Research Software Licenses page for more information. SPSS is also available for use on several ITS-owned computers; send email to data.service@nyu.eduto request access. |
SPSS Text Analysis
www.spss.com/textanalysis_surveys/ Accessing SPSS Text AnalysisSPSS Text Analysis is available for use on ITS systems; to request access, send email to data.service@nyu.eduor call 212-998-3398. |
Stata
www.stata.com Accessing StataStata is available for use on ITS systems; to request access, send email to data.service@nyu.eduor call 212-998-3398. |
SUDAAN
www.rti.org/sudaan/ Accessing SUDAANSUDAAN is available for use on ITS systems; to request access, send email to data.service@nyu.eduor call 212-998-3398. |
Tecplot 360![]() www.tecplot.com/products/360/360_main.htm Accessing Tecplot 360A license for Tecplot 360 is shared by ITS and CIMS, and is available for download from the hilbert.acs.its.nyu.edu license server. This license allows up to five Tecplot 360 sessions to be used simultaneously. For assistance with using an ITS/CIMS license, send an email request to hpc@nyu.edu. Tecplot 360 is also available on the Chemistry machine: tosca.chem.nyu.edu. This license allows up to five simultaneous Tecplot 360 sessions . To start Tecplot 360, type the following on the command line: |
Page last reviewed: September 26, 2008






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