HPC Applications on PARAM Shivay @ IIT(BHU) till date
# | 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 |
9 | 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)
# | 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... |
2 | Keras with python 2.7 and 3.6 | CPU and GPU | Keras is a high-level neural networks API, written in Python... |
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. |
4 | Intelpython 2.7 and 3.6 | CPU | The Intel® Distribution for Python* is a ready-to-use, integrated package... |
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... |
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... |