Abstract
In this paper we describe deployment of most important life sciences applications on the grid. The build grid is heterogenous and consist of systems of different architecture as well as operating systems and various middleware. We have used UNICORE infrastructure as framework for development dedicated user interface to the number of existing computational chemistry codes and molecular biology databases. Developed solution allows for access to the resources provided with UNICORE as well as Globus with exactly the same interface which gives access to the general grid functionality such as single login, job submission and control mechanism.
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Jarosław Wypychowski: He is a student at the Faculty of Mathematics and Computer Science, Warsaw University, Poland. He is involved in the development of grid tools. He has been working as programmer in the private company.
Jarosław Pytliński, M.Sc.: He received his M.Sc. in 2002 from Department of Mathematic and Computer Science of Nicolaus Copernicus University in Torun. His thesis on “Quantum Chemistry Computations in Grid Environment” was distincted in XIX Polish Contest for the best M.Sc. Thesis of Computer Science. He also worked in Laboratory of High Performance Systems at UCI, Torun. His interests are Artificial Intelligence and GRID technology.
Łukasz Skorwider, M.Sc.: He is programmer in the private pharmaceutical company. He obtained M.Sc. degree from the Faculty of Mathematics and Computer Science N. Copernicus University. As graduate student he was involved in the development of grid tools for drug design. His private and professional interest is Internet technology.
Mirosław Nazaruk, M.Sc.: He is a senior computer and network administrator at ICM Warsaw University. He provides professional support for the users of the high performance facilities located at the ICM. He obtained M.Sc. in Computer Science from Warsaw University in 1991. Before joining ICM, he was a member of technical staff at Institute of Applied Mathematics, Warsaw University.
Krzysztof Benedyczak: He is a student at the Faculty of Mathematics and Computer Science, N. Copernicus University, Torun, Poland. He is involved in the development of grid tools.
Michał Wroński: He is a student at the Faculty of Mathematics and Computer Science, N. Copernicus University, Torun, Poland. He is involved in the development of grid tools.
Piotr Bała, Ph.D.: He is an adiunkt at Faculty of Mathematics and Computer Science N. Copernicus University, Torun, Poland, and tightly cooperates with ICM, Warsaw University. He obtained Ph.D. in Physics in 1993 in Institute of Physics, N. Copernicus University and in 2000 habilitation in physics. From 2001 he was appointed director of Laboratory of Parallel and Distributed Processing at Faculty of Mathematics, N. Copernicus University. His main research interest is development and application of Quantum-Classical Molecular Dynamics and Approximated Valence Bond method to study of enzymatic reactions in biological systems. In the last few years, he has been involved in development of parallel and grid tools for large scale scientific applications.
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Wypychowski, J., Pytliński, J., Skorwider, Ł. et al. Life sciences grid in EUROGRID and GRIP projects. New Gener Comput 22, 147–156 (2004). https://doi.org/10.1007/BF03040953
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DOI: https://doi.org/10.1007/BF03040953