New faster CHARMM molecular dynamics engine
نویسندگان
چکیده
منابع مشابه
New faster CHARMM molecular dynamics engine
We introduce a new faster molecular dynamics (MD) engine into the CHARMM software package. The new MD engine is faster both in serial (i.e., single CPU core) and parallel execution. Serial performance is approximately two times higher than in the previous version of CHARMM. The newly programmed parallelization method allows the MD engine to parallelize up to hundreds of CPU cores.
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ژورنال
عنوان ژورنال: Journal of Computational Chemistry
سال: 2013
ISSN: 0192-8651,1096-987X
DOI: 10.1002/jcc.23501