HPC Applications on PARAM Shivay @ IIT(BHU) till date​

S.No
Application  Name
Domain Name
Description
1
Quantum Espresso
Quantum / Molecular Dynamics
Integrated suite for electronic-structure calculations and materials modeling
2
Abinit
Material Modeling
Calculate optical, mechanical, vibrational and other observable properties of materials
3
CP2K
Quantum / Molecular Dynamics
Quantum chemistry and solid state physics
4
MOM
Weather
3D Ocean circulation model designed for studying ocean climate system
5
MpiBLAST
Bio-Informatics
Discovery of regions of similarity between biological sequences
6
NWChem
Computational chemistry
Quantum chemical and molecular dynamics functionality
7
WRF
Weather
NWP system for both atmospheric research & operational forecasting applications
8
LAMMPS
Molecular Dynamics
Large-scale Atomic/ Molecular Massively Parallel Simulator
 
ROMS
Weather/Ocean
Regional Ocean Modeling System (ROMS) is a free-surface, terrain-following, primitive equations ocean model
10
Athena
Astro-physics
Athena is a grid-based code for astrophysical  magnetohydrodynamics (MHD)
11
RegCM
Climate Modelling
The RegCM system is a community model
12
Nektar++
CFD
open-source software framework designed to support the development of high performance scalable solvers for partial differential equations using the spectral/hp element method
13
Bowtie2
Bio-Infomatics
Bowtie 2 is an ultrafast and memory-efficient tool for aligning sequencing reads to long reference sequences.
14
Hmmer
Bio-Informatics
HMMER is used for searching sequence databases for sequence homologs, and for making sequence alignments
15
OpenFoam
CFD
OpenFOAM (for "Open-source Field Operation And Manipulation
16
Mummer
Bio-informatics
MUMmer is a bioinformatics software system for sequence alignment
17
ClustalW
Bio-informatics
ClustalW is a general purpose DNA or protein multiple sequence alignment program for three or more sequences.
18
FDS
CFD
Fire Dynamics Simulator is a model developed by National Institute for Standard and Technology that simulates fire and predicts its effects
19
Gromacs
Molecular Dynamics
GROningen MAchine for Chemical Simulations mainly designed for simulations of proteins, lipids, and nucleic acids.
20
Meep
Electromagnetics
software package for electromagnetics simulation via the finite-difference time-domain (FDTD) method spanning a broad range of applications
21
Meme
Bio-Informatics
software toolkit with a unified web server interface that enables users to perform different types of motif analysis
22
SU2
CFD
software tools written in C++ and Python for the analysis of partial differential equations (PDEs) and PDE-constrained optimization problems on unstructured meshes with state-of-the-art numerical methods

 

DL Frameworks on PARAM Shivay @ IIT (BHU)

S.No
Frame work Name
Environment
Description
1
Tensorflow with python 2.7 and 3.6
CPU and GPU
TensorFlow is an end-to-end open source platform for machine learning /deep learning. It has a comprehensive, flexible ecosystem of tools, libraries and community resources that lets researchers push the state-of-the-art in ML/DL and developers easily build and deploy ML/DL powered applications.
2
Keras  with python 2.7 and 3.6
CPU and GPU
Keras is a high-level neural networks API, written in Python and capable of running on top of TensorFlow. It was developed with a focus on enabling fast experimentation. Being able to go from idea to result with the least possible delay is key to doing good research.
3
Theano  with python2.7 and 3.6
-
Theano is a Python library for fast numerical computation that can be run on the CPU or GPU.
It is a key foundational library for Deep Learning in Python that you can use directly to create Deep Learning models or wrapper libraries that greatly simplify the process
4
Intelpython 2.7 and 3.6
CPU
The Intel® Distribution for Python* is a ready-to-use, integrated package that delivers faster application performance on Intel® platforms.
  5
Intel optimized  Tensorflow
with IntelPython 2.7 and 3.6 
CPU
TensorFlow* is a widely-used machine learning framework in the deep learning arena, demanding efficient utilization of computational resources. In order to take full advantage of Intel® architecture and to extract maximum performance, the TensorFlow framework has been optimized using Intel® Math Kernel Library for Deep Neural Networks (Intel® MKL-DNN) primitives, a popular performance library for deep learning applications.
6
MiniConda  with python 2.7 and 3.7
(tensorflow,theano,pytorch,mxnet)
CPU and GPU
Miniconda is essentially an installer for an empty conda environment, containing only Conda, its dependencies, and Python.