Modules avx512: Difference between revisions

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| align="center" | phys
| align="center" | phys
| align="center" | 1.2.5
| align="center" | 1.2.5
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Boltzmann Transport Properties (BoltzTraP) is a program for calculating the semi-classic transport coefficients. Homepage: http://www.icams.de/content/departments/cmat/boltztrap/ URL: http://www.icams.de/content/departments/cmat/boltztrap/ Keyword:phys<br /><br /><br /></div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Boltzmann Transport Properties (BoltzTraP) is a program for calculating the semi-classic transport coefficients. Homepage: http://www.icams.de/content/departments/cmat/boltztrap/ Keyword:phys<br /><br /><br /></div>
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| align="center" | [https://www.boost.org/ boost]
| align="center" | [https://www.boost.org/ boost]
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| align="center" | [https://github.com/NVIDIA/gdrcopy gdrcopy]
| align="center" | [https://github.com/NVIDIA/gdrcopy gdrcopy]
| align="center" | -
| align="center" | -
| align="center" | 2.1, 2.3.1
| align="center" | 2.1, 2.3, 2.3.1
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: A low-latency GPU memory copy library based on NVIDIA GPUDirect RDMA technology. Homepage: https://github.com/NVIDIA/gdrcopy URL: https://github.com/NVIDIA/gdrcopy<br /><br /><br /></div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: A low-latency GPU memory copy library based on NVIDIA GPUDirect RDMA technology. Homepage: https://github.com/NVIDIA/gdrcopy URL: https://github.com/NVIDIA/gdrcopy<br /><br /><br /></div>
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| align="center" | vis
| align="center" | vis
| align="center" | 5.99.0
| align="center" | 5.99.0
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Grace is a WYSIWYG 2D plotting tool for X Windows System and Motif. Homepage: http://freecode.com/projects/grace Keyword:vis<br /><br /><br /></div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Grace is a WYSIWYG 2D plotting tool for X Windows System and Motif. Homepage: http://freecode.com/projects/grace URL: http://freecode.com/projects/grace Keyword:vis<br /><br /><br /></div>
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| align="center" | [http://grackle.readthedocs.io grackle]
| align="center" | [http://grackle.readthedocs.io grackle]
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| align="center" | chem
| align="center" | chem
| align="center" | 2021.7-0.5.1
| align="center" | 2021.7-0.5.1
| Documentation: [[GROMACS]]<div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Modified GROMACS for small-angle scattering calculations (SAXS/WAXS/SANS). This is a GPU enabled build, containing both MPI and threadMPI builds. - CC-Wiki: GROMACS Homepage: https://cbjh.gitlab.io/gromacs-swaxs-docs/ URL: https://cbjh.gitlab.io/gromacs-swaxs-docs/ Keyword:chem<br /><br /><br /></div>
| Documentation: [[GROMACS]]<div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Modified GROMACS for small-angle scattering calculations (SAXS/WAXS/SANS). This is a CPU only build, containing both MPI and threadMPI builds. - CC-Wiki: GROMACS Homepage: https://cbjh.gitlab.io/gromacs-swaxs-docs/ URL: https://cbjh.gitlab.io/gromacs-swaxs-docs/ Keyword:chem<br /><br /><br /></div>
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| align="center" | [https://www.gnu.org/software/gsl/ gsl]
| align="center" | [https://www.gnu.org/software/gsl/ gsl]
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| align="center" | [https://sourceforge.net/projects/matio/ matio]
| align="center" | [https://sourceforge.net/projects/matio/ matio]
| align="center" | io
| align="center" | io
| align="center" | 1.5.2, 1.5.19, 1.5.26
| align="center" | 1.5.19, 1.5.26
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: matio is an C library for reading and writing Matlab MAT files. Homepage: https://sourceforge.net/projects/matio/ URL: https://sourceforge.net/projects/matio/ Keyword:io<br /><br /><br /></div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: matio is an C library for reading and writing Matlab MAT files. Homepage: https://sourceforge.net/projects/matio/ URL: https://sourceforge.net/projects/matio/ Keyword:io<br /><br /><br /></div>
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| align="center" | chem
| align="center" | chem
| align="center" | 2.4.1, 3.0.0, 3.1.1
| align="center" | 2.4.1, 3.0.0, 3.1.1
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Homepage: https://openbabel.org URL: https://openbabel.org Compatible modules: python/3.10, python/3.11 Extensions: openbabel-3.1.1.1 Keyword:chem<br /><br /><br /></div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Homepage: https://openbabel.org URL: https://openbabel.org Compatible modules: python/3.6, python/3.7, python/3.8, python/3.9, python/3.10, python/3.11 Extensions: openbabel-3.1.1.1 Keyword:chem<br /><br /><br /></div>
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| align="center" | [https://openbabel.org openbabel-omp]
| align="center" | [https://openbabel.org openbabel-omp]
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| align="center" | [https://repast.github.io/ repasthpc]
| align="center" | [https://repast.github.io/ repasthpc]
| align="center" | bio
| align="center" | bio
| align="center" | 2.2.0, 2.3.0
| align="center" | 2.0, 2.2.0, 2.3.0
| <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>
| <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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