Software Applications
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The primary use of LoBoS is to allow computational chemistry applications to be run in a massively parallel environment. The most common applications to date have been quantum and classical simulations of biological systems, neural network analysis of experimental neuron signal data and parallelization methods development.
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| CHARMM | Molecular Modeling | documentation Benchmarks on different parallel platforms | |
| AMBER | Molecular Modeling | documentation AMBER Home Page |
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| GAMESS-UK | Ab initio | documentation (at Daresbury Labs) GAMESS-UK Home Page |
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| GAMESS (US) | Ab initio | documentation GAMESS (US) Home Page |
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Enabling Parallelization Software
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MPI | Message Passing Interface Standard |
Various Implementations MPICH Home Page MPICHdocumentation MPICHman pages MP_Lite Implementation |
| VIA | Virtual Interface Architecture Standard | M-VIA Implementation M-VIA documentation |
Compilers
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PGI |
documentation Portland Group, Inc. Home page |
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Operating System Software
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Linux |
Freely available and robust implementation of UNIX RedHat distribution Debian distribution |
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10,100, Gigabit Ethernet Drivers | Freely available and reliable |
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