Embedded Files
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Various softwares and libraries with different versions are available on the CCF HPC system using Module command . Module is designed to support multiple versions and configurations of software on a wide variety of platforms and environments. Module command is non-destructive, and installing a new version of the same software does not break existing installations, In conclusion, many configurations can coexist on the same system.
General Instructions
All applications, compilers, and non-standard libraries are to be installed using "Module" environments.
Every library/application should have a different module for variations in compilers, linked libraries, and MPI versions (if relevant).
All application binaries (open source and those with site licenses) are to be installed under a common (user-visible) directory (/share/apps or /opt/apps, etc.) with appropriate sub-directory names reflecting the name of the application, version installed, compilers used (if not Intel-based), and any other variations. The paths should be made accessible through appropriate module definitions.
All standard libraries are to be installed under a common (user-linkable) directory defined in the default PATH or LIB_PATH variables.
All non-standard libraries to be installed under a common directory made accessible through appropriate module definitions.
All open-source visualization software should be installed under a common directory defined in the default PATH variable.
All applications with limited user licenses (personal) to be installed in user home areas as directed by relevant users and access to binaries limited to a set of users as directed.
Contact persons for every application/library below will be abhishek@manit.ac.in unless otherwise indicated.
Anaconda
Anaconda is an open-source distribution of the Python and R programming languages for data science that aims to simplify package management and deployment
Ansys
ANSYS is a comprehensive engineering simulation software that is widely used for finite element analysis (FEA), computational fluid dynamics (CFD), and other simulation tasks
Gromacs
GROMACS is a molecular dynamics package mainly designed for simulations of proteins, lipids, and nucleic acids.
MATLAB
MATLAB is a programming platform used for data analysis, algorithm development, and technical computing. It's used in many industries, including engineering, finance, and scientific research
Namd
NAMD is a scalable MD software capable of simulating all-atom systems of both DNA and proteins that comprise millions of atoms, both in stable and varying conditions
OpenFoam
OpenFOAM is a free, open-source software package for computational fluid dynamics (CFD). It's used in academia and industry to solve a variety of problems.
Paraview
ParaView is an open-source, multi-platform application designed to visualize data sets of varying sizes from small to very large. The goals of the ParaView project include developing an open-source, multi-platform visualization application that supports distributed computational models to process large data sets.
WRF-Chem
WRF-Chem is the Weather Research and Forecasting (WRF) model coupled with Chemistry.
GCC
The GNU Compiler Collection (GCC) is a free, widely-used compiler system that supports many programming languages. It's a key component of the GNU toolchain and is used to build software for Linux and other operating systems.
Intel-MPI
Intel® MPI Library is a multifabric message-passing library that implements the open source MPICH specification. Use the library to create, maintain, and test advanced, complex applications that perform better on HPC clusters based on Intel® and compatible processors.
Nvidia-CUDA
NVIDIA CUDA is a parallel computing platform that uses GPUs to speed up applications. It's a programming model that allows developers to use GPUs for general computing.
Open-MPI
Open MPI is an open-source implementation of the Message Passing Interface (MPI) standard. MPI is a specification for writing programs that use message passing to communicate between processes. Open MPI is used in many high-performance computing (HPC) applications, including those in finance, healthcare, and scientific research.
A NetCDF (Network Common Data Form) file is a format for storing scientific data like temperature, wind speed, and pressure. NetCDF files are used in many scientific fields, including atmospheric and oceanographic research.
Tensor Flow
TensorFlow is a free, open-source software library for machine learning and artificial intelligence. It helps users build and train machine learning models.
Singularity
Singularity is a free and open-source computer program that performs operating-system-level virtualization also known as containerization. Singularity.
Fleur
FLAPW (full-potential linearized augmented planewave) code, based on density-functional theory
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