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Parallel execution of a parameter sweep for molecular dynamics simulations in a hybrid GPU/CPU environment
| Content Provider | Semantic Scholar |
|---|---|
| Author | Garino, Carlos García Bringa, Eduardo M. Millán, Emmanuel N. |
| Copyright Year | 2012 |
| Abstract | Molecular Dynamics (MD) simulations can help to utimingnderstand an immense number of phenomena at the nano and microscale. They often require the exploration of large parameter space, and a possible parallelization strategy consists of sending different parameter sets to different processors. Here we present such approach using a hybrid environment of Graphic Processing Units (GPUs) and CPU cores. We take advantage of the software LAMMPS (lammps.sandia.gov), which is already prepared to run in a hybrid environment, in order to do an efficient parameter sweep. One example is presented in this work: the collision of two clusters is sampled over a multivariate space to obtain information on the resulting structural properties. |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | http://sedici.unlp.edu.ar/bitstream/handle/10915/23634/Documento_completo.pdf?isAllowed=y&sequence=1 |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
