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DAILY NEWS AND INFORMATION FOR THE GLOBAL GRID COMMUNITY / APRIL 7, 2003: VOL. 2 NO. 14

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GRIDSYSTEMS AND E-SCIENCE
by Marco Laucelli

A little more than half a decade ago the appearance of the Web started a reorganising process in our society. The fruits of that revolution are what is usually called information society. In that moment only one technology, Web technology, produced a bunch of new concepts related with several human activities as communication, commerce and entertainment. The result, some years later, is a set of concepts with a very similar technological subtract, corresponding to the different opportunities, mainly commercial, that became possible. This is the case of B2B (business to business), B2C (business to consumer)...We could add, probably not without discussion, the famous Peer to Peer in the long list that I don't want to detail. This proliferation in business opportunities was possible because the technological transfer from the scientific community to the society was clearly done. Once the technology was understood, the opportunities easily appeared.

Nowadays, when the initial euphoria of Web technology is passed, a new technology that promises to revolutionize our idea of communication networks and computational resources is at hand. It is the Grid technology, and in a few years it will allow us access in a distributed way not only to information but also to Data Bases, computational resources, simulation, visualization and mobile devices. I have sometimes heard comparisons of the web revolution and the changes that Grid technology is supposed to produce. However, the process looks like it is slower as supposed and the wanted revolution is being transformed into an evolution.

From my point of view, the reasons why the Grid phenomenon is taking some time are mainly two: one technological and the other sociological.

In a first place, the Grid term is nowadays ambiguous. It is really a word that is used to talk about several different concepts: MetaComputing, High Throughput Computing, High Performance Computing, Peer To Peer (more polemics), Distributed Data Bases, Beowulf, Parallelism... All these terms are familiar in the Grid literature even if their relationship is, at least, not very clear. The sociologic factor that has slowed down the Grid revolution is ambition. The Grid projects that we are used to seeing are incredibly huge, and are related with scientific global-level collaboration, where complex computational processes are combined with huge amounts of data. This is what is called e-science and, in the words of John Taylor, General Director of the Britannic Research Councils and one of the instigators of the e-science in that country, could be defined as: "In the future, e-Science will refer to the large scale science that will increasingly be carried out through distributed global collaborations enabled by the Internet. Typically, a feature of such collaborative scientific enterprises is that they will require access to very large data collections, very large scale computing resources and high performance visualisation back to the individual user scientists."

So, it seems that what we are dealing with is the science of future, that will still have to wait for the complex management systems currently being developed. In some years they will be of key importance to important challenges as the new CERN accelerator, high scale meteorological predictions, or the interactive processes for medical simulation. But, if we are talking about the future, it means that we have to wait.

In the current situation we have several technologies with a confusing common name and a set of projects that apparently look not much related with the current needs. At this stage it is not weird that Grid technology impact in the corporate world is much less than expected. Even worse, in my opinion, is the situation among the scientific community. Everyone has heard about Grid, but not many use it in their day-to-day activity.

For a professional focused on Grid technology the previous thoughts should lead to the following question: is it possible that Grid technology can be used today and we don't need to wait for it so long? And, focusing on the scientific world, is it possible to talk about e-science, even if it has to be redefined, for the current and not future challenges?

Finding answers to these questions, and convincing several persons about this, has been my task the last months at GridSystems. To make Grid technology accessible today we have to solve the difficulties that can cause its delay. In the first place it has to be clearly defined what Grid is nowadays and what it is suitable for, and second, try to solve the scientific computational problems today (that exist). Let's continue our research with the future problems, but let's pay attention to the tools available today and to the problems that can already be solved.

At GridSystems we believe that with the current technology Grid has to be understood as a distributed computational resources management system. Said in a different way, the Grid technology available today allows getting the maximum profit from the resources using the idle CPU cycles, memory...This conviction has taken us to develop a system to manage the computational resources and tasks in a distributed environment that we call InnerGrid. This platform allows different computers in a network to be integrated, having any operating system, to perform tasks that can be divided in independent sub-tasks.

Which of the scientific computational processes can take advantage of a platform like InnerGrid? Listing all of them would be impossible, but let's think about some examples, such as materials analysis, Montecarlo simulation, genetic sequences alignment... I'll come later to a more concrete example. We are convinced that with InnerGrid it is possible to start a backbone of computational infrastructure that allows establishing today useful cooperation's among the scientific community and that will be the base for the future e-science. For that, two additional requisites have to be met: easy to use and implementation of the tools. InnerGrid has been designed and developed with special attention to these features.

Universia, the Spanish & latin American Universities website portal sponsored by the SCH Bank, has bet for Grid technology as a present and future tool for Spanish science, and has launched a project called Grid-Universia to give access to this technology to the research groups in the Spanish universities. The chosen tool for the project is InnerGrid, from GridSystems, which is also taking care of the education and support of the users. During this project, that will last till 2004, we have checked how Grid can help a lot to solve current scientific problems. The projects that we have done in this frame, about thirty, have allowed linking the computational resources of Faculties and departments to establish cooperation frames for the researchers.

In some cases InnerGrid platforms have been installed with the goal to take advantage of underused common resources. Some examples are the Chemistry-Physics department at the University of Valencia that has decided to use the PCs in classrooms PCs (about 200) to distribute Gaussian simulations; the Faculty of Sciences oat the University of Oviedo has installed a Grid in the students classrooms (about 50) to perform simulations for several research teams (material physics, stochastic simulations, nuclear physics); the University of Seville has a student's room as a common computational resource for researchers (already been used for material simulations).

In other cases we have linked desktop computers to dedicated computers: the Genetics department at the University of Valencia has integrated their members' computers and a PC farm in a Grid Platform to perform filogenetics analysis; the Condensed Material Physics group of the University of Oviedo has done the same for molecular dynamic simulations; the Signal Theory department of the University Carlos III University in Madrid has integrated computers in their laboratories with computational servers to distribute tasks with MatLab.

I could continue listing different cases of current uses of the Grid technology by Spanish scientists in the frame of the Grid-Universia project, but the ones already given are enough to demonstrate that e-science is possible today. It is not the global e-science described by John Taylor, it is not a big scale science, but it is a science that already uses information technologies to new research possibilities. The local partnerships done thanks to InnerGrid will continue adding new ones with the new needs evolving towards an integrated fabric that will allow these every time more demanding challenges. The current application of our Grid technology in the universitary environment is not revolutionary, but it does allow us to recollect the first fruits of this evolution. A similar strategy allows us to solve different challenges in several corporate environments.

Marco Laucelli, R&D responsible of GridSystems

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