HPC Cluster Software Resources: Difference between revisions

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| MOPAC || <code>module add mopac</code> || http://openmopac.net/manual/ || General-purpose semiempirical molecular orbital package. Primarily used from within the WebMO (http://webmo.hpc.tcnj.edu) system
| MOPAC || <code>module add mopac</code> || http://openmopac.net/manual/ || General-purpose semiempirical molecular orbital package. Primarily used from within the WebMO (http://webmo.hpc.tcnj.edu) system
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| MPMC || <code>module add mpmc</code> || Example || Example
| MPMC || <code>module add mpmc</code> || https://github.com/mpmccode/mpmc/wiki || Massively parallel monte carlo
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| MrBayes || <code>module add mrbayes</code> || Example || Example
| MrBayes || <code>module add mrbayes</code> || http://nbisweden.github.io/MrBayes/manual.html || Program for Bayesian inference and model choice across a wide range of phylogenetic and evolutionary models
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| NetPBM || <code>module add netpbm</code> || Example || Example
| NetPBM || <code>module add netpbm</code> || http://netpbm.sourceforge.net/doc/ || Toolkit for manipulation of graphic images, including conversion of images between a variety of different formats
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| NWChem || <code>module add nwchem</code><br><code>module add nwchem-cuda</code> || Example || Example
| NWChem || <code>module add nwchem</code> (CPU version)<br><code>module add nwchem-cuda</code> (GPU version) || http://www.nwchem-sw.org/index.php/Release66:NWChem_Documentation || Open source high-performance computational chemistry
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| Omnia || <code>module add omnia</code> || Example || Example
| Omnia || <code>module add omnia</code> || Example || Example
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| ParaView || <code>module add paraview</code> || Example || Open-source, multi-platform data analysis and visualization application. Primarily accessed via the [http://ondemand.hpc.tcnj.edu/ Open OnDemand] interactive applications option
| ParaView || <code>module add paraview</code> || Example || Open-source, multi-platform data analysis and visualization application. Primarily accessed via the [http://ondemand.hpc.tcnj.edu/ Open OnDemand] (under Interactive Apps)
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| pNetCDF || <code>module add pnetcdf</code> || Example || Example
| pNetCDF || <code>module add pnetcdf</code> || Example || Example

Revision as of 18:02, 21 May 2019


Application Name Module Command Application Website/Docs Notes
Amber module add amber http://ambermd.org/Manuals.php Amber is a suite of biomolecular simulation programs
Athena module add athena https://princetonuniversity.github.io/Athena-Cversion/ Athena is a grid-based code for astrophysical magnetohydrodynamics (MHD)
Athena++ module add athena++ https://princetonuniversity.github.io/athena/ Athena++ is a complete re-write of the Athena astrophysical magnetohydrodynamics (MHD) code in C++
Blast+ module add blast+ https://www.ncbi.nlm.nih.gov/books/NBK279690/ Basic Local Alignment Search Tool
Cassandra module add cassandra https://cassandra.nd.edu/index.php/documentation Cassandra is an open source Monte Carlo package

cuda/8.0
cuda/9.2
cuda/10.0
module add cuda
module add cuda/8.0
module add cuda/9.2
module add cuda/10.0
https://docs.nvidia.com/cuda/ Default is CUDA 9.2 if using module add cuda
cuDNN module add cudnn https://docs.nvidia.com/deeplearning/sdk/cudnn-developer-guide/index.html -
ELSA Tutorial module add elsa-tutorial TBA Used with ELSA SLURM tutorial
ESPResSo module add espresso http://espressomd.org/wordpress/documentation/ Extensible Simulation Package for Research on Soft Matter
FASTX-Toolkit module add fastx http://hannonlab.cshl.edu/fastx_toolkit/commandline.html FASTQ/A short-reads pre-processing tools
FFmpeg module add ffmpeg https://ffmpeg.org/ffmpeg.html ffmpeg is a very fast video and audio converter
Garli module add garli Website no longer accessible Genetic Algorithm for Rapid Likelihood Inference
Gaussian module add gaussian http://gaussian.com/man/ Electronic structure modeling
GNUplot module add gnuplot http://www.gnuplot.info/documentation.html Portable command-line driven graphing utility
Go module add go https://golang.org/doc/ Go programming language
Gromacs module add gromacs
module add gromacs+plumed
http://manual.gromacs.org/documentation/
https://www.plumed.org/doc-master/user-doc/html/index.html
Versatile package to perform molecular dynamics
Hoomd-Blue module add hoomd-blue https://hoomd-blue.readthedocs.io/en/stable/ General purpose particle simulation toolkit
JDK module add jdk - Java. Note: OpenJDK is recommended over this version (Oracle Java) due to licensing issues. OpenJDK is installed in the OS by default so no module is needed.
Jellyfish module add jellyfish http://www.genome.umd.edu/docs/JellyfishUserGuide.pdf Fast, parallel k-mer counting for DNA
Julia module add julia https://docs.julialang.org/en/v1/ Julia programming language
LAMMPS module add lammps https://lammps.sandia.gov/doc/Manual.html Molecular dynamics simulator
Mathematica module add mathematica Example Example
Matlab module add matlab Example Example
MOPAC module add mopac http://openmopac.net/manual/ General-purpose semiempirical molecular orbital package. Primarily used from within the WebMO (http://webmo.hpc.tcnj.edu) system
MPMC module add mpmc https://github.com/mpmccode/mpmc/wiki Massively parallel monte carlo
MrBayes module add mrbayes http://nbisweden.github.io/MrBayes/manual.html Program for Bayesian inference and model choice across a wide range of phylogenetic and evolutionary models
NetPBM module add netpbm http://netpbm.sourceforge.net/doc/ Toolkit for manipulation of graphic images, including conversion of images between a variety of different formats
NWChem module add nwchem (CPU version)
module add nwchem-cuda (GPU version)
http://www.nwchem-sw.org/index.php/Release66:NWChem_Documentation Open source high-performance computational chemistry
Omnia module add omnia Example Example
ParaView module add paraview Example Open-source, multi-platform data analysis and visualization application. Primarily accessed via the Open OnDemand (under Interactive Apps)
pNetCDF module add pnetcdf Example Example
PrinSEQ module add prinseq Example Example
Python module add python Example Example
R module add R Example Example
RStudio module add rstudio_singularity Example Example
SageMath module add sagemath Example Example
SAS module add sas Example Example
SOAPDenovo2 module add soapdenovo2 Example Example
Sondovac module add sondovac Example Example
SOP module add sop-gpu Example Example
Spades module add spades Example Example
Swift module add swift Example Example
Transcriptomics module add transcriptomics Example Example
Trimmomatic module add trimmomatic Example Example
Trinity module add trinity Example Example
VisIt module add visit Example Example
VMD module add vmd Example Example