Difference between revisions of "Software:nwchem"

Revision as of 17:28, 27 May 2016 (view source) Hasch (Talk | contribs) (Created page with "== NWChem == {| style="border-spacing: 8px;" NWChem is a computational chemistry package that is designed to run on high-performance parallel supercomputers as well as conven...")		Revision as of 17:29, 27 May 2016 (view source) Hasch (Talk | contribs) (→‎NWChem) Newer edit →
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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|MWChem FAQ]]	+	* '''Help File''': [[HowTo:nwchem|Local NWChem Help File]]
	|}		|}
	* '''Related Software''':		* '''Related Software''':

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Revision as of 17:29, 27 May 2016

NWChem

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)
• Platform/Cluster: Linux (SW)
• Location: /opt/nwchem
• Related link: For information about NWChem go to the MWChem home page
• Statement: Required to access the software
• Help File: Local NWChem Help File

• Related Software:

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NAMD

CPMD