The following software is available on the supercomputer, among others:
SOFTWARE NAME
FIELD
DESCRIPTION
Life Sciences, Material Science, Chemistry
GROMACS
Molecular dynamics
Package of molecular dynamics simulation programs. It is primarily designed for biochemical molecules.
VASP
Quantum chemistry
Suite for quantum-mechanical molecular dynamics simulations and electronic structure calculations.
Gaussian
Electronic structure program
Performs density functional theory, Hartree-Fock, Möller-Plesset, coupled-cluster, and configuration interaction calculations among others.
ORCA
Quantum chemistry program package
Contains modern electronic structure methods including density functional theory, many-body perturbation, coupled cluster, multireference methods, and semi-empirical quantum chemistry methods.
Nextflow
Workflow system
System for creating scalable, portable, and reproducible workflows. Nextflow is based on the dataflow programming model which simplifies complex distributed pipelines.
Amber
Assisted Model Building with Energy Refinement
Contains many molecular simulation programs targeted at biomolecular systems. A wide variety of modelling techniques are available. It generally scales well on modest numbers of processors, and the GPU enabled CUDA programs are very efficient.
Earth Sciences, Weather, Climate
WRF
Regional and mesoscale atmospheric model
Mesoscale numerical weather prediction system for atmospheric research and operational forecasting needs.
Mathematics and Computer Science
BLAS
Linear Algebra
Standard building blocks for performing basic vector and matrix operations.
FFTW
Fourier Transform
C library for computing the Discrete Fourier Transform.
LAPACK
Linear Algebra
Routines for solving systems of simultaneous linear equations, least-squares solutions of linear systems of equations, eigenvalue problems, and singular value problems.
Wolfram Engine
Wolfram Engine Docke
Wolfram Engine Docker image allows you to run the Wolfram Language in either interactive or scripting mode.
If you have any specific requirements, we can install the necessary environment to meet your needs. The ANSCC ensures system resilience through robust infrastructure provisions in partnership with the ASNET-AM – Academic scientific research computer network of Armenia. ANSCC connects directly to the ASNET-AM ultra-fast fiber optic network backbone serving scientific and high educational organizations of Armenia.