Centre for Computational and Integrative Sciences (CCIS)

Overview

The CCIS is an inter/multi-disciplinary centre. The primary motivations of this center are as follows:

To foster and advance SRM University-AP as a research-oriented institution that embraces true interdisciplinary collaboration in alignment with the mission of SRM AP.
To establish a dedicated platform within the university for interdisciplinary research in the areas of computational research

Core Research Areas

Materials Genome for Energy
Photo-functional Materials
AI/ML for Energy
Computational Fluid Dynamics
Bioinformatics

Who can use

All students, research scholars and faculty across the University can access the HPCC facilities at CCIS.

Access to the Machine

Fill in the HPCC registration form, send it to the CCIS coordinator for approval and further follow-up process.

Click for Registration Form

Vision

To be at the forefront of innovation and discovery, leveraging advanced supercomputing capabilities. We aim to foster collaborative, interdisciplinary research in diverse scientific and technological areas.

Mission

Our mission is to facilitate collaborative projects and alliances with world-class research groups, promoting the exchange of ideas and expertise to drive transformative scientific advancements.
We are dedicated to providing comprehensive training programmes, creating an extensive e-learning database, and conducting hands-on sessions.
To conduct cutting-edge research, pushing the boundaries of knowledge and contributing solutions to pressing challenges in various scientific and technological domains.

Research Objectives

Materials Genome Project for Energy (Prof. Ranjit, Dr Debabrata, Dr Ashu Abdul, Dr Mahesh and Dr Baswanth)
Design and Development of Photo-functional Materials (Prof. Ranjit, Dr Mahesh and Dr Baswanth)
Natural Language Generation for Medical Applications (in collaboration with SRM Technologies and AIIMS, Mangalagiri) (Dr Ashu Abdul)
Modelling Protein and Biomacromolecule Interactions and Developing Algorithm and Databases related Bioinformatics (Dr Nagabhushana Rao and Dr Debabrata)
Development of Open-source Softwares for Computational Fluid Dynamics (Dr Sathya Pramod Jammy)

Publications

Publications will be uploaded periodically.

Publications

Acknowledgement

Proper acknowledgement should be given to any published work using these Supercomputing facilities. The following acknowledgment statement should be given: “The authors thank the SRM University–AP, Andhra Pradesh for providing the central computational facility”.

System Specifications

Total Theoretical Peak Floating-Point Performance	103 TFLOPS
CPU Nodes Specifications	Intel(R) Xeon(R) Gold 6248R CPU, Clock Speed: 3.00 GHz, and 256 GB
No of Master Nodes	1
CPU Compute Nodes (Memory)	12 (256 GB)
GPU Compute Nodes (Memory)	1 (512 GB)
GPU Nodes Specifications	ECE
Total Memory	2.4 TB

Applications Available

Applications Installed	VASP CP2K GAUSSIAN CILAB GROMACS	QUANTUM ESPRESSO WIEN2K SCHRODINGER MATLAB LAMMPS
Assemblers	ALL PATHS RAY VELVET SOAP DENOVO EDENA OASES	CELERA SSPACE VELVET OPTIMISER SOAP DENOVO-TRANS TRANS-ABYSS CAP3
Interpreters and Runtime Environments	R BIO CONDUCTOR PYTHON BIO PERL	BIO PYTHON JAVA PERL NUMPY