The dissipative particle dynamics simulation is usually used to study polymer in mesoscopic space. The traditional methods are resource intensive, especially when the scale of research is large. Therefore, improving computing efficiency is a key point in this research area. Two major issues are addressed in this paper. First, the DPD methods are analysed and the most time-consuming parts are identified: conservative force, dissipative force and random force. Second, we describe how to parallelize the existing serial application in the Windows Compute Cluster Server (WCCS) platform. The results show that the parallel algorithm not only effectively shortens the computing time, but also improves the resource utilization rate.<br /
peer reviewedThis paper presents the enhanced design of the Discrete Particle Method (DPM), a simul...
In the field of molecular simulations, the long-standing aim has been to study mechanisms that canno...
This is a post-peer-review, pre-copyedit version of an article published in Computer Physics Communi...
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969...
Copyright: © 2015 Materials Research SocietyThis article discusses novel algorithms for molecular-dy...
Parallel computer programs are used to speed up the calculation of computationally-demanding scienti...
© 2013 American Physical SocietyThis article introduces a highly parallel algorithm for molecular dy...
We present a novel algorithm for the many-body Dissipative Particle Dynamics (DPD) forces calculatio...
Dissipative particle dynamics (DPD) and its generalization – the fluid particle model (FPM)- represe...
We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphi...
International audienceThis work presents new parallelizable numerical schemes for the integration of...
Published under license in Journal of Physics: Conference Series.Recently, an alternative strategy f...
The DDSCAT software is enabled for use of MPI or OpenMP to distribute calculation of different parti...
Molecular dynamics simulation has become an important tool for testing and developing hypotheses abo...
Dissipative particle dynamics (DPD) is now a well-established method for simulating soft matter syst...
peer reviewedThis paper presents the enhanced design of the Discrete Particle Method (DPM), a simul...
In the field of molecular simulations, the long-standing aim has been to study mechanisms that canno...
This is a post-peer-review, pre-copyedit version of an article published in Computer Physics Communi...
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969...
Copyright: © 2015 Materials Research SocietyThis article discusses novel algorithms for molecular-dy...
Parallel computer programs are used to speed up the calculation of computationally-demanding scienti...
© 2013 American Physical SocietyThis article introduces a highly parallel algorithm for molecular dy...
We present a novel algorithm for the many-body Dissipative Particle Dynamics (DPD) forces calculatio...
Dissipative particle dynamics (DPD) and its generalization – the fluid particle model (FPM)- represe...
We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphi...
International audienceThis work presents new parallelizable numerical schemes for the integration of...
Published under license in Journal of Physics: Conference Series.Recently, an alternative strategy f...
The DDSCAT software is enabled for use of MPI or OpenMP to distribute calculation of different parti...
Molecular dynamics simulation has become an important tool for testing and developing hypotheses abo...
Dissipative particle dynamics (DPD) is now a well-established method for simulating soft matter syst...
peer reviewedThis paper presents the enhanced design of the Discrete Particle Method (DPM), a simul...
In the field of molecular simulations, the long-standing aim has been to study mechanisms that canno...
This is a post-peer-review, pre-copyedit version of an article published in Computer Physics Communi...