ARVO-CL: The OpenCL version of the ARVO package — An efficient tool for computing the accessible surface area and the excluded volume of proteins via analytical equations
Description
Abstract Introduction of Graphical Processing Units (GPUs) and computing using GPUs in recent years opened possibilities for simple parallelization of programs. In this update, we present the modernized version of program ARVO [J. Buša, J. Dzurina, E. Hayryan, S. Hayryan, C.-K. Hu, J. Plavka, I. Pokorný, J. Skivánek, M.-C. Wu, Comput. Phys. Comm. 165 (2005) 59]. The whole package has been rewritten in the C language and parallelized using OpenCL. Some new tricks have been added to the algorithm in ord... Title of program: ARVO-CL Catalogue Id: ADUL_v2_0 Nature of problem Molecular mechanics computations, continuum percolation Versions of this program held in the CPC repository in Mendeley Data ADUL_v1_0; ARVO; 10.1016/j.cpc.2004.08.002 ADUL_v2_0; ARVO-CL; 10.1016/j.cpc.2012.04.019 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)