Modules avx512: Difference between revisions

| align="center" | phys

| align="center" | 16.2.3, 17.2, 18.1, 18.2, 19.1, 19.2, 2019R2, 2019R3, 2020R1, 2020R2, 2021R1, 2021R2, 2022R1, 2022R2, 2023R1, 2023R2

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| align="center" | [http://www.ansys.com ansysedt]

| align="center" | [https://apptainer.org apptainer]

| align="center" | -

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Apptainer/Singularity is an application containerization solution for High-Performance Computing (HPC). The goal of Apptainer is to allow for "mobility of computing": an application containerized on one Linux system should be able to run on another system, as it is, and without the need to reconcile software dependencies and Linux version differences between the source and target systems. Homepage: https://apptainer.org URL: https://apptainer.org<br /><br /><br /></div>

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| align="center" | [https://arrow.apache.org arrow]

| align="center" | tools

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Apache Arrow is a cross-language development platform for in-memory data. Homepage: https://arrow.apache.org URL: https://arrow.apache.org Compatible modules: python/3.6.3, python/3.7.4, python/3.8.0 Keyword:tools<br /><br /><br /></div>

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| align="center" | bio

| align="center" | 2.1.10, 2.1.11

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| align="center" | [http://hannonlab.cshl.edu/fastx_toolkit/ fastx-toolkit]

| align="center" | phys

| align="center" | 16.1

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| align="center" | [https://fmm3d.readthedocs.io fmm3d]

| align="center" | [https://www.msg.chem.iastate.edu/GAMESS/GAMESS.html gamess-us]

| align="center" | chem

| Documentation: [[GAMESS-US]]<div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The General Atomic and Molecular Electronic Structure System (GAMESS) is a general ab initio quantum chemistry package. This version of GAMESS is built with Intel compilers and IntelMPI. It includes experimental MU CoupledCluster theory code. Homepage: https://www.msg.chem.iastate.edu/GAMESS/GAMESS.html URL: https://www.msg.chem.iastate.edu/GAMESS/GAMESS.html Keyword:chem<br /><br /><br /></div>

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| align="center" | [https://www.golang.org go]

| align="center" | tools

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Go is an open source programming language that makes it easy to build simple, reliable, and efficient software. Homepage: https://www.golang.org URL: https://www.golang.org Keyword:tools<br /><br /><br /></div>

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| align="center" | [https://openjdk.java.net java]

| align="center" | tools

| Documentation: [[Java]]<div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Java Platform, Standard Edition (Java SE) lets you develop and deploy Java applications on desktops and servers. Homepage: https://openjdk.java.net URL: https://openjdk.java.net Keyword:tools<br /><br /><br /></div>

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| align="center" | [https://mmseqs.com mmseqs2]

| align="center" | -

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: MMseqs2: ultra fast and sensitive search and clustering suite Homepage: https://mmseqs.com URL: https://mmseqs.com<br /><br /><br /></div>

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| align="center" | [https://www.nwchem-sw.org nwchem]

| align="center" | chem

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters. NWChem software can handle: biomolecules, nanostructures, and solid-state; from quantum to classical, and all combinations; Gaussian basis functions or plane-waves; scaling from one to thousands of processors; properties and relativity. Homepage: https://www.nwchem-sw.org URL: https://www.nwchem-sw.org Keyword:chem<br /><br /><br /></div>

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| align="center" | [https://www.openfoam.org/ openfoam]

| align="center" | phys

| Documentation: [[OpenFOAM]]<div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: OpenFOAM is a free, open source CFD software package. OpenFOAM has an extensive range of features to solve anything from complex fluid flows involving chemical reactions, turbulence and heat transfer, to solid dynamics and electromagnetics. Homepage: https://www.openfoam.org/ URL: https://www.openfoam.org/ Keyword:phys<br /><br /><br /></div>

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| align="center" | [http://pngu.mgh.harvard.edu/~purcell/plink/ plink]

| align="center" | bio

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: PLINK is a free, open-source whole genome association analysis toolset, designed to perform a range of basic, large-scale analyses in a computationally efficient manner. The focus of PLINK is purely on analysis of genotype/phenotype data, so there is no support for steps prior to this (e.g. study design and planning, generating genotype or CNV calls from raw data). Through integration with gPLINK and Haploview, there is some support for the subsequent visualization, annotation and storage of results. Homepage: http://pngu.mgh.harvard.edu/~purcell/plink/ Keyword:bio<br /><br /><br /></div>

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| align="center" | [http://www.povray.org/ pov-ray]

| align="center" | -

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The Persistence of Vision Raytracer, or POV-Ray, is a ray tracing program which generates images from a text-based scene description, and is available for a variety of computer platforms. POV-Ray is a high-quality, Free Software tool for creating stunning three-dimensional graphics. The source code is available for those wanting to do their own ports. Homepage: http://www.povray.org/ URL: http://www.povray.org/<br /><br /><br /></div>

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| align="center" | [https://repast.github.io/ repasthpc]

| align="center" | bio

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The Repast Suite is a family of advanced, free, and open source agent-based modeling and simulation platforms that have collectively been under continuous development for over 15 years: Repast for High Performance Computing 2.2.0, released on 30 September 2016, is a lean and expert-focused C++-based modeling system that is designed for use on large computing clusters and supercomputers. Homepage: https://repast.github.io/ URL: https://repast.github.io/ Keyword:bio<br /><br /><br /></div>

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| align="center" | [http://www.repeatmasker.org/ repeatmasker]

| align="center" | bio

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: RepeatMasker is a program that screens DNA sequences for interspersed repeats and low complexity DNA sequences. Homepage: http://www.repeatmasker.org/ URL: http://www.repeatmasker.org/ Keyword:bio<br /><br /><br /></div>

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| align="center" | [http://departments.icmab.es/leem/siesta siesta]

| align="center" | chem

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: SIESTA is both a method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids. This version was built with Lua support. Homepage: http://departments.icmab.es/leem/siesta URL: http://departments.icmab.es/leem/siesta Keyword:chem<br /><br /><br /></div>

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| align="center" | [http://creskolab.uoregon.edu/stacks/ stacks]

| align="center" | bio

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Stacks is a software pipeline for building loci from short-read sequences, such as those generated on the Illumina platform. Stacks was developed to work with restriction enzyme-based data, such as RAD-seq, for the purpose of building genetic maps and conducting population genomics and phylogeography. Homepage: http://creskolab.uoregon.edu/stacks/ URL: http://creskolab.uoregon.edu/stacks/ Keyword:bio<br /><br /><br /></div>

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| align="center" | [http://software.intel.com/en-us/articles/intel-tbb/ tbb]

| align="center" | tools

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Intel Threading Building Blocks 2017 (Intel TBB) is a widely used, award-winning C++ template library for creating reliable, portable, and scalable parallel applications. Use Intel TBB for a simple and rapid way of developing robust task-based parallel applications that scale to available processor cores, are compatible with multiple environments, and are easier to maintain. Intel TBB is the most proficient way to implement future-proof parallel applications that tap into the power and performance of multicore and manycore hardware platforms. Homepage: http://software.intel.com/en-us/articles/intel-tbb/ Keyword:tools<br /><br /><br /></div>

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| align="center" | bio

| align="center" | 3.0.2, 3.2.0, 3.2.1, 3.2.2, 4.0.0

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| align="center" | [https://triqs.github.io/triqs triqs]

| align="center" | 2.13.3, 3.2.1

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: VisIt is an Open Source, interactive, scalable, visualization, animation and analysis tool. Homepage: https://wci.llnl.gov/simulation/computer-codes/visit URL: https://wci.llnl.gov/simulation/computer-codes/visit Keyword:vis<br /><br /><br /></div>

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| align="center" | [https://www.ks.uiuc.edu/Research/vmd vmd]

| align="center" | chem

| align="center" | 6.3.0, 6.3.3, 6.4.0, 6.4.1, 6.5.0, 6.5.1

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| align="center" | [https://github.com/xtensor-stack/xtensor xtensor]