Куклин Е.Ю.   Ushenin K.S.   Byordov D.A.   Созыкин А.В.  

LiFlow: a workflow automation system for reproducible simulation studies

Докладчик: Созыкин А.В.

Simulation of living systems often requires numerous computational experiments on  the same model for different parameter values. This paper describes the  design of a user-friendly workflow automation system LiFlow for simulation of living systems, which is capable of conducting such a large series of computational experiments on supercomputers. The system provides a convenient interface for preparing input experimental data, executing the experiments on a supercomputer, and storing experimental results in a storage system. In addition, the environment of computational experiments is automatically captured and stored for future use in order to aid the reproducibility of experiments. A distinctive feature of LiFlow is its simplicity and usability---the system is intended to be used by researchers in mathematical biology and biophysics without extensive knowledge in parallel computing. The paper provides examples of the use of the LiFlow system for simulation of the human heart left ventricle.