HPC(High-Performance Computing) is Like a supercomputer In which two or more computer Server are connected via high-speed Network media(optical Fiber cable and Infiniband switch) and each computer is called Node and “High-Performance Computing” (HPC) is a collection of many isolated servers (Computers) and they can be viewed as a single system. It’s a computer with modern processing capacity especially the fastest speed of calculation and accessible memory. In HPC A large number of the dedicated processor are used to resolve intensive computational tasks.High-performance computing (HPC) uses supercomputers and computer clusters to solve advanced computation problems. Today, computer systems approaching the teraflops region are counted as HPC-computers. HPC integrates systems administration and parallel programming into a multidisciplinary field that combines digital electronics, computer architecture, system software, programming languages, algorithms, and computational techniques. HPC technologies are the tools and systems used to implement and create high-performance computing systems.HPC is also called computer cluster refers to a group of servers working together on one system to provide high performance and availability over that of a single computer while typically being more cost-effective than single computers of comparable speed or availability.HPC plays an important role in the field of computational science and HPC is a powerful technique are used for a wide range of computationally intensive tasks in various fields, including Bio-Science (biological macromolecules), Weather forecasting, chemical Engineering(computing the structures and properties of chemical Molecular design, Oil and gas exploration, Mechanical design(2D & 3D design verification) and physical simulations(such as simulations of the universal activity like early moments of the Universe, the detonation of nuclear weapons and nuclear fusion).
A Typical HPC Cluster can be employ two or more server, all working together to execute High
performance Job, HPC system based on Intel and/or AMD CPUs, running a Linux platform and each server
architecture is quite plane and each server has its own hardware: Network, Memory, storage and
processing CPUs and each server are interconnected with copper and fiber cables.
The “AGASTYA” HPC can conduct 256 Teraflops of
operations using CPU-CPU based parallel computing. This cluster (of computing
nodes) also has 8 GPUs (Tesla V100), with each of them capable of 7
Teraflops of operations per second. The facility comes with 800 TB of storage
space . The cluster supports data transfer with an overwhelming speed of 100 Gbps. With
a dedicated UPS of 210 KVA with a three-phase power supply, we are committed to providing the
institute an uninterrupted computing capability. In summary, AGASTYA stands within 20 of the best
computing facilities available in the country.The AGASTYA-HPC relies on parallel-processing
technology to offer AGASTYA researchers an extremely fast solution for all their data processing
needs.
A set of different compute clusters in AGASTYA-HPC. For an up to date list of all clusters and their
hardware are following -:
Total Storage:804 TB
1-Personal Desktop: Agastya is Not a replacement of the personal desktop even if it can do most of
their jobs. It is a cluster of computer servers that can be utilized for computational jobs that a
usual desktop will either Not able to execute or will take too long to make the execution
practically useless.
2-develops your applications.
3-HPC Not for the playing games.
4-answers your query.
5-Thinks like you.
6-Runs your PC-applications much faster for bigger problems.
First request for the new user account through given dedicated link portal on the IIT Jammu intranet -:Link - https://intranet.iitjammu.ac.in
User can change own PEM file, User need to recreate the rsa key and add it to
authorized_keys file using following step -:
1-After login, User will enter in to .ssh directory.$cd .ssh/
2-Then type following command -:$ssh-keygen –t rsa
3-Then recreate the authorized key using copy the content of public key into the
authorized key using following command -:$ cat id_rsa.pub >
authorized_keys
4-Now download the private key(id_rsa) in own system.
5-Now after logout the system user can login on system with new key.
To run the jobs in HPC, the User required Job scheduler with a resource manager so that the user can
use maximum resources of HPC and get the result in minimum time so first, we will define the
required some technical stuff during job running on HPC.In HPC to have access to the compute nodes
of a cluster, we have to use the job system so In AGASTYA-HPC for access to the, all nodes of a
cluster have used "Portable Batch System Professional (PBS Pro) version
19.1.3.” And for the use of job scheduler first we have to write a pbs
jobs script.so that User can select resources of HPC like number of processor, number
of nodes, memory, wall time etc.
So pbs jobs script example are following -:
1-#!/bin/bash
2-#PBS N test_job (test_job is user sample job name)
3-#PBS -l nodes=1:ppn=1 (Requests for 1 processors on 1 node. )
4-#PBS –q queue name
5-#PBS -l mem=5gb (Requests 5 GB of memory in total)
6-#PBS o outtest.log
7-#PBS e Error.log
8- $PBS_NODEFILE>nodes
9-mpirun -machinefile $PBS_NODEFILE -np 20 executable-binary input--file
In HPC, Using modules, each user has control over their environment, and using modules User can work
with different versions of software without risking version conflicts.So in HPC all software package
are activate and deactivate through module so the first users has to know about the all following
module command
To Check Available Module List: #module avail
How To Load Module: #module load module-name
How To Check Loaded Module List: #module list
How To Unload Loaded Module: #module unload module-name
How To Unload All Loaded Module Once: #module purge
How To Get The Details Of Module: #module help Or #module help module-name
How To The Module Environment Details:#module show module-name
In AGASTYA-HPC following Queue are available so the user can use all given Queue in PBS Script
Parameter
LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator.
