{"id":275,"date":"2024-07-11T22:42:14","date_gmt":"2024-07-11T22:42:14","guid":{"rendered":"https:\/\/anscc.sci.am\/?page_id=275"},"modified":"2025-09-01T15:39:21","modified_gmt":"2025-09-01T15:39:21","slug":"software","status":"publish","type":"page","link":"https:\/\/anscc.sci.am\/?page_id=275","title":{"rendered":"Software"},"content":{"rendered":"\n

The following software is available on the supercomputer, among others:<\/strong><\/p>\n\n\n\n

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SOFTWARE NAME<\/strong><\/h6>\n<\/div><\/div>\n\n\n\n
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FIELD<\/strong><\/h6>\n<\/div><\/div>\n\n\n\n
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DESCRIPTION<\/strong><\/h6>\n<\/div><\/div>\n<\/div><\/div><\/section>\n\n\n\n
<\/div>\n\n\n\n

Life Sciences, Material Science, Chemistry<\/strong><\/p>\n\n\n\n

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GROMACS<\/strong><\/p>\n<\/div><\/div>\n\n\n\n

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Molecular dynamics<\/p><\/div><\/div>\n<\/div><\/div>\n\n\n\n

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Package of molecular dynamics simulation programs. It is primarily designed for biochemical molecules.<\/p><\/div><\/div>\n<\/div><\/div>\n<\/div><\/div><\/section>\n\n\n\n

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VASP<\/strong><\/p>\n<\/div><\/div>\n\n\n\n

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Quantum chemistry<\/p><\/div><\/div>\n<\/div><\/div>\n\n\n\n

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Suite for quantum-mechanical molecular dynamics simulations and electronic structure calculations.<\/p><\/div><\/div>\n<\/div><\/div>\n<\/div><\/div><\/section>\n\n\n\n

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Gaussian<\/strong><\/strong><\/p>\n<\/div><\/div>\n\n\n\n

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Electronic structure program<\/p><\/div><\/div>\n<\/div><\/div>\n\n\n\n

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Performs density functional theory, Hartree-Fock, M\u00f6ller-Plesset, coupled-cluster, and configuration interaction calculations among others.<\/p><\/div><\/div>\n<\/div><\/div>\n<\/div><\/div><\/section>\n\n\n\n

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ORCA<\/strong><\/strong><\/strong><\/p>\n<\/div><\/div>\n\n\n\n

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Quantum chemistry program package<\/p><\/div><\/div>\n<\/div><\/div>\n\n\n\n

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Contains modern electronic structure methods including density functional theory, many-body perturbation, coupled cluster, multireference methods, and semi-empirical quantum chemistry methods.<\/p><\/div><\/div>\n<\/div><\/div>\n<\/div><\/div><\/section>\n\n\n\n

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Nextflow<\/strong><\/strong><\/strong><\/p>\n<\/div><\/div>\n\n\n\n

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Workflow system<\/p><\/div><\/div>\n<\/div><\/div>\n\n\n\n

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System for creating scalable, portable, and reproducible workflows. Nextflow is based on the dataflow programming model which simplifies complex distributed pipelines.<\/p><\/div><\/div>\n<\/div><\/div>\n<\/div><\/div><\/section>\n\n\n\n

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Amber<\/strong><\/strong><\/strong><\/p>\n<\/div><\/div>\n\n\n\n

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Assisted Model Building with Energy Refinement<\/p><\/div><\/div>\n<\/div><\/div>\n\n\n\n

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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.<\/p><\/div><\/div>\n<\/div><\/div>\n<\/div><\/div><\/section>\n\n\n\n

Earth Sciences, Weather, Climate<\/strong><\/p>\n\n\n\n

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WRF<\/strong><\/p>\n<\/div><\/div>\n\n\n\n

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Regional and mesoscale atmospheric model<\/p><\/div><\/div>\n<\/div><\/div>\n\n\n\n

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Mesoscale numerical weather prediction system for atmospheric research and operational forecasting needs.<\/p><\/div><\/div>\n<\/div><\/div>\n<\/div><\/div><\/section>\n\n\n\n

Mathematics and Computer Science<\/strong><\/p>\n\n\n\n

\n
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BLAS<\/strong><\/p>\n<\/div><\/div>\n\n\n\n

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Linear Algebra<\/p><\/div><\/div>\n<\/div><\/div>\n\n\n\n

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Standard building blocks for performing basic vector and matrix operations.<\/p><\/div><\/div>\n<\/div><\/div>\n<\/div><\/div><\/section>\n\n\n\n

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FFTW<\/strong><\/p>\n<\/div><\/div>\n\n\n\n

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Fourier Transform<\/p><\/div><\/div>\n<\/div><\/div>\n\n\n\n

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C library for computing the Discrete Fourier Transform.<\/p><\/div><\/div>\n<\/div><\/div>\n<\/div><\/div><\/section>\n\n\n\n

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LAPACK<\/strong><\/p>\n<\/div><\/div>\n\n\n\n

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Linear Algebra<\/p><\/div><\/div>\n<\/div><\/div>\n\n\n\n

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Routines for solving systems of simultaneous linear equations, least-squares solutions of linear systems of equations, eigenvalue problems, and singular value problems.<\/p><\/div><\/div>\n<\/div><\/div>\n<\/div><\/div><\/section>\n\n\n\n

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Wolfram Engine<\/strong><\/p>\n<\/div><\/div>\n\n\n\n

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Wolfram Engine Docke<\/p><\/div><\/div>\n<\/div><\/div>\n\n\n\n

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Wolfram Engine Docker image allows you to run the Wolfram Language in either interactive or scripting mode.<\/p><\/div><\/div>\n<\/div><\/div>\n<\/div><\/div><\/section>\n\n\n\n

<\/div>\n\n\n\n

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.<\/p><\/div><\/div>\n\n\n\n

<\/div>\n","protected":false},"excerpt":{"rendered":"

The following software is available on the supercomputer, among others: Life Sciences, Material Science, Chemistry Earth Sciences, Weather, Climate Mathematics and Computer […]<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_editorskit_title_hidden":false,"_editorskit_reading_time":0,"_editorskit_is_block_options_detached":false,"_editorskit_block_options_position":"{}","footnotes":""},"class_list":["post-275","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/anscc.sci.am\/index.php?rest_route=\/wp\/v2\/pages\/275","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/anscc.sci.am\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/anscc.sci.am\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/anscc.sci.am\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/anscc.sci.am\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=275"}],"version-history":[{"count":5,"href":"https:\/\/anscc.sci.am\/index.php?rest_route=\/wp\/v2\/pages\/275\/revisions"}],"predecessor-version":[{"id":391,"href":"https:\/\/anscc.sci.am\/index.php?rest_route=\/wp\/v2\/pages\/275\/revisions\/391"}],"wp:attachment":[{"href":"https:\/\/anscc.sci.am\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=275"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}