Jun 22, 2005 · In this paper we report our work on a SM-MIMD architecture clustered as four SMP machines of the MPI version of the GROMACS V1.5.1.
Abstract. In this paper we report our work on a SM-MIMD architec- ture clustered as four SMP machines of the MPI version of the GRO-. MACS V1.5.1.
An investigation of molecular dynamics simulation and molecular docking: Interaction of citrus flavonoids and bovine β-lactoglobulin in focus · Understanding the ...
Mar 3, 2020 · Multthreading particle simulations is generally pretty easy. You use double buffered data & partition the processing of all your particles into N groups.
Title: Molecular dynamics using p-threads. Authors: Chillemi, G. Sanna, Nico. Issue Date: 1998. URI: http://hdl.handle.net/2067/37535.
In this paper, we demonstrate that by employing multi-threading within MPI processes we manage to counter-balance the cost increase associated with P- ...
In this paper, we study the performance of a native, lightweight POSIX threads (Pthreads) library on a shared memory machine running Solaris.
[PDF] Analysis and Optimization of a Molecular Dynamics Code using ...
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We start with 8 cores on one node using 4 OpenMP threads and 2 MPI processes to resemble the dual socket quad core hardware. This yields. 98.2% which is 1 ...
We describe a complete implementation of all-atom protein molecular dynamics running entirely on a graphics processing unit (GPU).
developed using OpenMP and PThreads. All the multithreaded versions are hybrid, in the sense that they preserve the MPI execution and inter-process ...