This short tutorial focuses on how to install and use the REGCM4 package The goal of this School is to fill the identified gap in the training related to the software development, and to provide young scientists with the basic skills necessary to efficiently write their own scientific codes, optimize, port and benchmark them properly, and to employ the right computational infrastructure effectively. The School will be organized in two weeks. The first week will be dedicated to scientific software engineering concepts/tools, with the emphasis on topics such as: software life cycle, writing and managing scientific software, compiling, debugging, and re-using the code etc. Theoretical lectures will be combined with the practical exercises in computer laboratories where students will practice the concepts discussed during the lectures on their own scientific software project. The second week will be then entirely dedicated to complete personal and/or group projects. The school aims to bring together young researchers and PhD students with already strong knowledge in programming, HPC and/or GRID computing. While the first week of the school will be devoted to lectures and presentations from key experts in the field, during the second week participants are expected to work in computer labs on their own small research projects.
These projects could be related to your current/planned research or other activities related to HPC/GRID (e.g. advanced system administration, development of tools, etc.).
The School will consist of theoretical lectures given in the morning, and laboratory sessions in the afternoon. First week of the school will focus on the needs of beginner and intermediate level participants whereas the second will be dedicated to more advanced topics and giving researchers the opportunity to apply the techniques learned in the first week to their own projects. Previous background using the Linux Operating System is not mandatory.Participants should be prepared to work with software applications related to their own scientific interests during lab hours in the second week. Participants will be required to present their results on specific tasks assigned during the course. A conference session at the end of the meeting will give opportunity to those participants who may wish to submit a paper.  The School is hosted by SISSA and DEMOCRITOS. These institutions are major players in the field of numerical simulations of material properties with a 25-year tradition of methodological innovation and high-quality software development. The School is mainly directed to undergraduate students, with little or no experience in computer simulations (see Application for more details). The aims of the schools are: - providing students with a basic but detailed overview of the theoretical basis of computer simulations of molecular systems, with a focus on molecular dynamics and electronic structure methods
- giving an overview of the domains of interesting applications
- providing the basis for running in practice a simple molecular dynamics simulation and a simple electronic structure calculation.
At the end of the school the students should have a clear idea of the importance of computer simulations; should be aware of the problems that are still open and are at the center of current research effort; should have the capability of writing a code for performing a simple simulation or an analysis. As the demand to computational resources increase in various application areas, cluster computing becomes the most appropriate solution that provides the expected performance with reasonably cheap price per computational operation. This course will try to cover one of the promising architecture for cluster computing infrastructure called Message Passing Interface focusing on the MPI-2 implementation standard. The issues that will be covered in this course are listed in the course delivery structure. This course will teach how to use grid infrastructures based on gLite middleware. This hands-on school aims at presenting the Grid activities, tools and applications developed and implemented in Chemistry and Material Sciences within the COST D37 Action and EUINDIAGRID project. The school is the follow-up of the 2008 successful edition and will be organized as the previous edition at ICTP, with the collaboration of Democritos/eLab and EGEE/COMPCHEM Virtual organization.
Target audience are young scientists active in computational molecular and materials science interested in carrying out their activities on grid infrastructures.
For this purpose, during the school, basic software tools, computer programs and some successful case studies will be illustrated and discussed. Participants are encouraged to take along their own applications in order to enable them on the Grid infrastructures during the hands on sessions.
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