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Main Page - NWChem

Log in / create account. Modified on 14 December 2017 at 14:48 ••• 9,592,075 views. NWChem: Open Source High-Performance Computational Chemistry. 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:. The NWChem ...

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Log in / create account. Modified on 14 December 2017 at 14:48 ••• 9,592,075 views. NWChem: Open Source High-Performance Computational Chemistry. 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:. The NWChem ...
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Main Page - NWChem | nwchem-sw.org Reviews

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Log in / create account. Modified on 14 December 2017 at 14:48 ••• 9,592,075 views. NWChem: Open Source High-Performance Computational Chemistry. 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:. The NWChem ...

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What links here - NWChem

http://www.nwchem-sw.org/index.php/Special:WhatLinksHere/Main_Page

Log in / create account. Pages that link to "Main Page". No pages link to Main Page. Retrieved from " http:/ www.nwchem-sw.org/index.php/Special:WhatLinksHere/Main Page. Designed by Paul Gu.

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Special pages - NWChem

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Log in / create account. Pages with the fewest revisions. Pages without language links. All pages with prefix. Login / sign up. Log in / create account. Blocked IP addresses and usernames. Recent changes and logs. Gallery of new files. Media reports and uploads. Search for duplicate files. Wiki data and tools. Pages with the most categories. Pages with the most revisions. Retrieved from " http:/ www.nwchem-sw.org/index.php/Special:SpecialPages. Designed by Paul Gu.

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Benchmarks - NWChem

http://www.nwchem-sw.org/index.php/Benchmarks

Log in / create account. Modified on 7 January 2016 at 18:29 ••• 162,410 views. Benchmarks performed with NWChem. Hybrid density functional calculation on the C. Parallel performance of Ab initio Molecular Dynamics using plane waves. Parallel performance of the CR-EOMCCSD(T) method (triples part). Parallel performance of the multireference coupled cluster (MRCC) methods. Timings of CCSD/EOMCCSD for the oligoporphyrin dimer. Current developments for high accuracy: alternative task schedulers (ATS). System...

4

NWChem:Current events - NWChem

http://www.nwchem-sw.org/index.php/NWChem:Current_events

Log in / create account. Modified on 4 July 2016 at 13:02 ••• 103,449 views. EMSL Arrows - An Easier Way to Use NWChem. NWChem 6.6 has been released. Dr Jakowski named an EMSL visiting scientist. NWChem among 13 science projects selected to run on the 300-petaFLOPS Summit. NWChem Tutorial at NSCCS. EMSL Named an Intel Parallel Computing Center. NWChem 6.5 has been released. NWChem 6.5 soon to be released. NWChem 6.3 release now available. NWChem highlighted in DOE Pulse. NWChem 6.1 has been released.

5

Forums for ECCE: Extensible Computational Chemistry Environment - NWChem

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Log in / create account. Forums for ECCE: Extensible Computational Chemistry Environment. Forum for all issues regarding the to ECCE, the Extensible Computational Chemistry Environment. This category replaces the old ecce-support@emsl.pnl.gov support mailing list. ECCE: Extensible Computational Chemistry Environment. ECCE: Extensible Computational Chemistry Environment. ECCE does not start. Aug 24th 12:19 am. Members 0 Guests 0 Bots/Crawler 1. MediaWiki - Stand Alone Forum Extension. Designed by Paul Gu.

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Software

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2494 is now available for sale under an annual 512 core license. With the license we provide help with the initial software installation and extensive user training on-site and/or via web conferencing. Knowledge transfer is a major part of our business. GRACE. 24 is the most successful software for the crystal structure prediction of organic molecules. A scriptable command line interface. A dispersion-corrected driver for the DFT. A dispersion-corrected driver for TURBOMOLE. A 64 bit operating system.

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News Archive

http://www.hoffman2.idre.ucla.edu/news-archive

Skip to primary navigation. Skip to primary sidebar. Hoffman2 Cluster User Guide. Hoffman2 Cluster User Guide. You are here: Home. New g09.q.parallel script. Hoffman2 Security Update on Sunday, Feb. 26, 2017. IDRE Winter 2017 HPC Classes. How to change the time request on pending jobs. Bedtools updated to 2.26.0. Intel 17.0.1 available. Hoffman2 Cluster and Data Center Winter Maintenance, December 12-14, 2016. Data Transfer Nodes fingerprints changed. IDRE Fall 2016 High Performance Computing Classes.

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News Archive

http://www.hoffman2.idre.ucla.edu/news

Skip to primary navigation. Skip to primary sidebar. Hoffman2 Cluster User Guide. Hoffman2 Cluster User Guide. You are here: Home. New g09.q.parallel script. Hoffman2 Security Update on Sunday, Feb. 26, 2017. IDRE Winter 2017 HPC Classes. How to change the time request on pending jobs. Bedtools updated to 2.26.0. Intel 17.0.1 available. Hoffman2 Cluster and Data Center Winter Maintenance, December 12-14, 2016. Data Transfer Nodes fingerprints changed. IDRE Fall 2016 High Performance Computing Classes.

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Software | Laboratorio Nacional de Supercomputo

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Pasar al contenido principal. Laboratorio Nacional de Supercómputo. Del Sureste de México. Misión, Visión y Política de Calidad. Resultados Primavera 2017 - N. Resultados Primavera 2017 - C. Guía básica de utilización de Supercómputo. Calendario de Mantenimiento Preventivo. Alumnos apoyados en el Programa de Investigación LNS-2016. Listado de Alumnos Aceptados y Becas al Diplomado en CAR 2016. Soporte al centro de datos. Misión, Visión y Política de Calidad. Resultados 2017 - N. Resultados 2017 - C.

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Computational Science Software

http://crd.lbl.gov/software/computational-science-software

Lawrence Berkeley National Laboratory. A - Z Index. Data Science and Technology. Data Science and Technology. Data Science and Technology. DOE's leading computational chemistry software for molecules and materials. Pole EXpansion and Selected Inversion) Fast method for electronic structure calculation based on Kohn-Sham density functional theory. Parallel, plane-wave basis, density functional theory (DFT) code that is one of the DFT packages supported by the BerkeleyGW code. Python bindings for ROOT, the...

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Main Page - NWChem

Log in / create account. Modified on 14 December 2017 at 14:48 ••• 9,592,075 views. NWChem: Open Source High-Performance Computational Chemistry. 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:. The NWChem ...

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