Difference between revisions of "Software:nwchem"
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== NWChem == | == NWChem == | ||
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NWChem is a computational chemistry package that is designed to run on high-performance parallel supercomputers as well as conventional workstation clusters. It aims to be scalable both in its ability to treat large problems efficiently, and in its usage of available parallel computing resources. NWChem has been developed by the High-performance Computational Chemistry group of the Environmental Molecular Sciences Laboratory (EMSL) at the Pacific Northwest National Laboratory (PNNL). | NWChem is a computational chemistry package that is designed to run on high-performance parallel supercomputers as well as conventional workstation clusters. It aims to be scalable both in its ability to treat large problems efficiently, and in its usage of available parallel computing resources. NWChem has been developed by the High-performance Computational Chemistry group of the Environmental Molecular Sciences Laboratory (EMSL) at the Pacific Northwest National Laboratory (PNNL). | ||
* '''Current Version''': 6.1 (MPI) | * '''Current Version''': 6.1 (MPI) | ||
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* '''Related link''': For information about NWChem go to [http://www.nwchem-sw.org/index.php/Main_Page the MWChem home page] | * '''Related link''': For information about NWChem go to [http://www.nwchem-sw.org/index.php/Main_Page the MWChem home page] | ||
* '''Statement''': [http://www.hpcvl.org/sites/default/files/hpcvl%20nwchem_statement.pdf Required to access the software] | * '''Statement''': [http://www.hpcvl.org/sites/default/files/hpcvl%20nwchem_statement.pdf Required to access the software] | ||
| − | * '''Help File''': [[HowTo:nwchem| | + | * '''Help File''': [[HowTo:nwchem|Local NWChem Help File]] |
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* '''Related Software''': | * '''Related Software''': | ||
Latest revision as of 19:44, 30 May 2016
NWChem
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NWChem is a computational chemistry package that is designed to run on high-performance parallel supercomputers as well as conventional workstation clusters. It aims to be scalable both in its ability to treat large problems efficiently, and in its usage of available parallel computing resources. NWChem has been developed by the High-performance Computational Chemistry group of the Environmental Molecular Sciences Laboratory (EMSL) at the Pacific Northwest National Laboratory (PNNL).
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- Related Software:
