Best bang for your buck: GPU nodes for GROMACS biomolecular simulations

The molecular dynamics simulation package GROMACS runs efficiently on a wide variety of hardware from commodity workstations to high performance computing clusters. Hardware features are well‐exploited with a combination of single instruction multiple data, multithreading, and message passing interf...

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Detalles Bibliográficos
Autores principales: Kutzner, Carsten, Páll, Szilárd, Fechner, Martin, Esztermann, Ansgar, de Groot, Bert L., Grubmüller, Helmut
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2015
Materias:
Software News and Updates
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5042102/
https://www.ncbi.nlm.nih.gov/pubmed/26238484
http://dx.doi.org/10.1002/jcc.24030

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5042102/
https://www.ncbi.nlm.nih.gov/pubmed/26238484
http://dx.doi.org/10.1002/jcc.24030

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