CAVE-CL: An OpenCL version of the package for detection and quantitative analysis of internal cavities in a system of overlapping balls: Application to proteins

Autor:	Chin-Kun Hu, Shura Hayryan, Ján Buša, Ming-Chya Wu
Rok vydání:	2015
Předmět:	Structure (mathematical logic) Quantitative analysis (finance) Hardware and Architecture Fortran Computer science Code (cryptography) General Physics and Astronomy Parallel computing Data input computer computer.programming_language Computational science
Zdroj:	Computer Physics Communications. 190:224-227
ISSN:	0010-4655
Popis:	Here we present the revised and newly rewritten version of our earlier published CAVE package (Busa et al., 2010) which was originally written in FORTRAN. The package has been rewritten in C language, the algorithm has been parallelized and implemented using OpenCL. This makes the program convenient to run on platforms with Graphical Processing Units (GPUs). Improvements include also some modifications/optimizations of the original algorithm. A considerable improvement in the performance of the code has been achieved. A new tool called input_structure has been added which helps the user to make the data input and conversion more easier and universal.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::ae3b75235aa4ed0c30a9905da098dac1 https://doi.org/10.1016/j.cpc.2014.12.017 Zobrazit plný text záznamu Full Text from ScienceDirect