Polish Grid Infrastructure PL-Grid
Encyclopedia
Polish Grid Infrastructure PL-Grid, a nationwide computing infrastructure, built in 2009-2011, under the scientific project PL-Grid - Polish Infrastructure for Supporting Computational Science in the European Research Space. Its purpose was to enable scientific research based on advanced computer simulations and large-scale computations using the computer clusters, and to provide convenient access to the computer resources for research teams, also outside the communities, in which the High Performance Computing centers operate.
an countries advanced Grid
programs have been created. Besides, the Europe
an and worldwide consolidation took place in form of various projects, which concerned the Grid technology and HPC
: EGEE
, e-IRG, PRACE, DEISA
and OMII-Europe.
Poland has also undertaken efforts to build the National Grid, because without such infrastructure it would not be possible for Polish scientific communities to participate in many research programs, particularly in the EU 7th Framework Programme. Another reason to initiate steps towards the Polish Grid creation was the fact that in Poland the number of intensively cooperating, geographically dispersed research teams, was increasing. In case of such cooperation, tools for gathering and sharing of accumulated knowledge on a global scale were essential.
In 2007, with the support of almost all Europe
an countries, EGI Design Study project was created. Its goal was to prepare the rules of integration of national Grids (National Grid Initiatives) in Europe into a stable, production infrastructure
- European Grid Initiative - which would begin its operation in 2010. It helped start work on establishing National Grid Initiative in Poland already in 2007, by setting up the PL-Grid Consortium.
In 2009-2011, the activity of the Consortium was supported by the PL-Grid project,,,,,,, co-funded by the European Regional Development Fund
within the Innovative Economy Operational Programme.
The result of the operation of the Consortium was the establishment of the Polish Grid Infrastructure PL-Grid, formed by the merger of new, powerful computational resources, purchased and installed in the data centers belonging to the PL-Grid Consortium.
installed in Academic Computer Centre Cyfronet AGH University of Science and Technology in Kraków
- in 2010 and 2011, the most efficient supercomputer
in Poland
.
, quantum chemistry
, physics
, numerical computations and simulation
to conduct large-scale computations: ADF
, AMBER
, AutoDock
, BLAST
, Blender, CFOUR, Clustal
, CPMD
, Dalton, FLUENT, GAMESS
, Gaussian, GROMACS, Mathematica
, Matlab
, Meep, MOLPRO
, MOPAC
, NAMD
, NWChem
, OpenFOAM
, POV-Ray
, R and TURBOMOLE
.
, mentioned in all government documents setting the directions of the development of the Polish science
, technology
and economy
. To fulfill the aim „Growth of the competitiveness of the Polish science” of the Innovative Economy Operational Program, the science sector must have been strengthened by provision of the suitable research
base. The grid infrastructure constituted such a base, on which the specialized systems specific for various fields of science were created, involving services and tools oriented on the used types of applications.
The history
In the first decade of the twenty-first century in most EuropeEurope
Europe is, by convention, one of the world's seven continents. Comprising the westernmost peninsula of Eurasia, Europe is generally 'divided' from Asia to its east by the watershed divides of the Ural and Caucasus Mountains, the Ural River, the Caspian and Black Seas, and the waterways connecting...
an countries advanced Grid
Grid computing
Grid computing is a term referring to the combination of computer resources from multiple administrative domains to reach a common goal. The grid can be thought of as a distributed system with non-interactive workloads that involve a large number of files...
programs have been created. Besides, the Europe
Europe
Europe is, by convention, one of the world's seven continents. Comprising the westernmost peninsula of Eurasia, Europe is generally 'divided' from Asia to its east by the watershed divides of the Ural and Caucasus Mountains, the Ural River, the Caspian and Black Seas, and the waterways connecting...
an and worldwide consolidation took place in form of various projects, which concerned the Grid technology and HPC
High-performance computing
High-performance computing uses supercomputers and computer clusters to solve advanced computation problems. Today, computer systems approaching the teraflops-region are counted as HPC-computers.-Overview:...
: EGEE
Egee
Egee was a mythical Libyan queen, known in ancient Greece. Legend says she commanded an army of Amazon women warriors that traveled from Libya to Asia Minor to fight at Troy. Little else is known about her.-References:...
, e-IRG, PRACE, DEISA
DEISA
The Distributed European Infrastructure for Supercomputing Applications is a European Union supercomputer project. It is made up of a consortium of eleven leading national supercomputing centres from seven European countries...
and OMII-Europe.
Poland has also undertaken efforts to build the National Grid, because without such infrastructure it would not be possible for Polish scientific communities to participate in many research programs, particularly in the EU 7th Framework Programme. Another reason to initiate steps towards the Polish Grid creation was the fact that in Poland the number of intensively cooperating, geographically dispersed research teams, was increasing. In case of such cooperation, tools for gathering and sharing of accumulated knowledge on a global scale were essential.
In 2007, with the support of almost all Europe
Europe
Europe is, by convention, one of the world's seven continents. Comprising the westernmost peninsula of Eurasia, Europe is generally 'divided' from Asia to its east by the watershed divides of the Ural and Caucasus Mountains, the Ural River, the Caspian and Black Seas, and the waterways connecting...
an countries, EGI Design Study project was created. Its goal was to prepare the rules of integration of national Grids (National Grid Initiatives) in Europe into a stable, production infrastructure
Infrastructure
Infrastructure is basic physical and organizational structures needed for the operation of a society or enterprise, or the services and facilities necessary for an economy to function...
- European Grid Initiative - which would begin its operation in 2010. It helped start work on establishing National Grid Initiative in Poland already in 2007, by setting up the PL-Grid Consortium.
PL-Grid Consortium, project and infrastructure
The PL-Grid Consortium was established by five Polish supercomputing and networking centers:- Academic Computer Centre Cyfronet AGH, KrakówKrakówKraków also Krakow, or Cracow , is the second largest and one of the oldest cities in Poland. Situated on the Vistula River in the Lesser Poland region, the city dates back to the 7th century. Kraków has traditionally been one of the leading centres of Polish academic, cultural, and artistic life...
(the coordinator) - Interdisciplinary Centre for Mathematical and Computational Modelling, Warsaw University, WarsawWarsawWarsaw is the capital and largest city of Poland. It is located on the Vistula River, roughly from the Baltic Sea and from the Carpathian Mountains. Its population in 2010 was estimated at 1,716,855 residents with a greater metropolitan area of 2,631,902 residents, making Warsaw the 10th most...
- Poznan Supercomputing and Networking Center, PoznanPoznanPoznań is a city on the Warta river in west-central Poland, with a population of 556,022 in June 2009. It is among the oldest cities in Poland, and was one of the most important centres in the early Polish state, whose first rulers were buried at Poznań's cathedral. It is sometimes claimed to be...
- Information Center of the Academic Computer Network, GdanskGdanskGdańsk is a Polish city on the Baltic coast, at the centre of the country's fourth-largest metropolitan area.The city lies on the southern edge of Gdańsk Bay , in a conurbation with the city of Gdynia, spa town of Sopot, and suburban communities, which together form a metropolitan area called the...
- Wroclaw Centre for Networking and Supercomputing, WroclawWroclawWrocław , situated on the River Oder , is the main city of southwestern Poland.Wrocław was the historical capital of Silesia and is today the capital of the Lower Silesian Voivodeship. Over the centuries, the city has been part of either Poland, Bohemia, Austria, Prussia, or Germany, but since 1945...
In 2009-2011, the activity of the Consortium was supported by the PL-Grid project,,,,,,, co-funded by the European Regional Development Fund
European Regional Development Fund
The European Regional Development Fund is a fund allocated by the European Union.-History:During the 1960s, the European Commission occasionally tried to establish a regional fund. Only Italy ever supported this, however, and nothing came of it. Britain made it an issue for their accession in...
within the Innovative Economy Operational Programme.
The result of the operation of the Consortium was the establishment of the Polish Grid Infrastructure PL-Grid, formed by the merger of new, powerful computational resources, purchased and installed in the data centers belonging to the PL-Grid Consortium.
Computational resources
Computational resources available in the Polish Grid Infrastructure PL-Grid include: 1580 TBytes of storage capacity and 225 TFlops of computing power. One of the clusters within Polish Grid Infrastructure is Zeus - supercomputerSupercomputer
A supercomputer is a computer at the frontline of current processing capacity, particularly speed of calculation.Supercomputers are used for highly calculation-intensive tasks such as problems including quantum physics, weather forecasting, climate research, molecular modeling A supercomputer is a...
installed in Academic Computer Centre Cyfronet AGH University of Science and Technology in Kraków
Kraków
Kraków also Krakow, or Cracow , is the second largest and one of the oldest cities in Poland. Situated on the Vistula River in the Lesser Poland region, the city dates back to the 7th century. Kraków has traditionally been one of the leading centres of Polish academic, cultural, and artistic life...
- in 2010 and 2011, the most efficient supercomputer
Supercomputer
A supercomputer is a computer at the frontline of current processing capacity, particularly speed of calculation.Supercomputers are used for highly calculation-intensive tasks such as problems including quantum physics, weather forecasting, climate research, molecular modeling A supercomputer is a...
in Poland
Poland
Poland , officially the Republic of Poland , is a country in Central Europe bordered by Germany to the west; the Czech Republic and Slovakia to the south; Ukraine, Belarus and Lithuania to the east; and the Baltic Sea and Kaliningrad Oblast, a Russian exclave, to the north...
.
Enabled software packages
On the PL-Grid infrastructure resources there are available scientific software packages which allow researchers in the field of biologyBiology
Biology is a natural science concerned with the study of life and living organisms, including their structure, function, growth, origin, evolution, distribution, and taxonomy. Biology is a vast subject containing many subdivisions, topics, and disciplines...
, quantum chemistry
Quantum chemistry
Quantum chemistry is a branch of chemistry whose primary focus is the application of quantum mechanics in physical models and experiments of chemical systems...
, physics
Physics
Physics is a natural science that involves the study of matter and its motion through spacetime, along with related concepts such as energy and force. More broadly, it is the general analysis of nature, conducted in order to understand how the universe behaves.Physics is one of the oldest academic...
, numerical computations and simulation
Simulation
Simulation is the imitation of some real thing available, state of affairs, or process. The act of simulating something generally entails representing certain key characteristics or behaviours of a selected physical or abstract system....
to conduct large-scale computations: ADF
Amsterdam Density Functional
Amsterdam Density Functional is a program for first-principles electronic structure calculations that makes use of density functional theory . ADF was first developed in the early seventies by the group of E. J. Baerends from the Vrije Universiteit in Amsterdam, and by the group of T. Ziegler...
, AMBER
AMBER
AMBER is a family of force fields for molecular dynamics of biomolecules originally developed by the late Peter Kollman's group at the University of California, San Francisco. AMBER is also the name for the molecular dynamics software package that simulates these force fields...
, AutoDock
AutoDock
AutoDock is a molecular modeling simulation software. Since 2009, it has been open source and is free for non-commercial usage. It is especially effective for Protein-ligand docking.-About:...
, BLAST
BLAST
In bioinformatics, Basic Local Alignment Search Tool, or BLAST, is an algorithm for comparing primary biological sequence information, such as the amino-acid sequences of different proteins or the nucleotides of DNA sequences...
, Blender, CFOUR, Clustal
Clustal
Clustal is a widely used multiple sequence alignment computer program. The latest version is 2.1. There are two main variations:*ClustalW: command line interface*ClustalX: This version has a graphical user interface...
, CPMD
CPMD
The Car–Parrinello Molecular Dynamics,, also known as CPMD, is a method to follow the classical motion of point-like atomic nuclei in time, i.e. for performing molecular dynamics , while at the same time solving ab-initio and efficiently the quantum mechanical motion of electrons...
, Dalton, FLUENT, GAMESS
GAMESS
GAMESS is a computational chemistry software program and stands for General Atomic and Molecular Electronic Structure System. The original code of GAMESS split in 1981 and now the three version differ considerably:* GAMESS * GAMESS * PC GAMESS...
, Gaussian, GROMACS, Mathematica
Mathematica
Mathematica is a computational software program used in scientific, engineering, and mathematical fields and other areas of technical computing...
, Matlab
MATLAB
MATLAB is a numerical computing environment and fourth-generation programming language. Developed by MathWorks, MATLAB allows matrix manipulations, plotting of functions and data, implementation of algorithms, creation of user interfaces, and interfacing with programs written in other languages,...
, Meep, MOLPRO
MOLPRO
MOLPRO is a software package used for accurate ab initio quantum chemistry calculations. It is developed by Peter Knowles at Cardiff University and Hans-Joachim Werner at Universität Stuttgart in collaboration with other authors....
, MOPAC
MOPAC
In computational chemistry, MOPAC is a popular computer program designed to implement semi-empirical quantum chemistry algorithms, such as MINDO, MNDO, AM1, PM3, PM5, and . It was largely written in the group of Michael Dewar at University of Texas, Austin...
, NAMD
NAMD
NAMD is a free-of-charge molecular dynamics simulation package written using the Charm++ parallel programming model, noted for its parallel efficiency and often used to simulate large systems...
, NWChem
NWChem
NWChem is an ab initio computational chemistry software package which also includes quantum chemical and molecular dynamics functionality.It was designed to run on high-performance parallel supercomputers as well as conventional workstation clusters. It aims to be scalable both in its ability to...
, OpenFOAM
OpenFOAM
OpenFOAM is a C++ toolbox for the development of customized numerical solvers, and pre-/post-processing utilities for the solution of continuum mechanics problems, including computational fluid dynamics . The code is released as free and open source software under the GNU General Public License...
, POV-Ray
POV-Ray
The Persistence of Vision Raytracer, or POV-Ray, is a ray tracing program available for a variety of computer platforms. It was originally based on DKBTrace, written by David Kirk Buck and Aaron A. Collins. There are also influences from the earlier Polyray raytracer contributed by its author...
, R and TURBOMOLE
TURBOMOLE
TURBOMOLE is an ab initio computational chemistry program that implements various quantum chemistry algorithms. It is developed at the group of Prof. Reinhart Ahlrichs at the University of Karlsruhe....
.
Implemented tools
Within the PL-Grid infrastructure, there are available several tools that support design and running the scientific applications on the distributed computational resources, organization of computational experiments, visualization of applications' results and resources management: g-Eclipse, GridSpace2 and Migrating Desktop.Innovation in PL-Grid
The creation of the national grid infrastructure was an enterprise with a very large potential of innovationInnovation
Innovation is the creation of better or more effective products, processes, technologies, or ideas that are accepted by markets, governments, and society...
, mentioned in all government documents setting the directions of the development of the Polish science
Science
Science is a systematic enterprise that builds and organizes knowledge in the form of testable explanations and predictions about the universe...
, technology
Technology
Technology is the making, usage, and knowledge of tools, machines, techniques, crafts, systems or methods of organization in order to solve a problem or perform a specific function. It can also refer to the collection of such tools, machinery, and procedures. The word technology comes ;...
and economy
Economy
An economy consists of the economic system of a country or other area; the labor, capital and land resources; and the manufacturing, trade, distribution, and consumption of goods and services of that area...
. To fulfill the aim „Growth of the competitiveness of the Polish science” of the Innovative Economy Operational Program, the science sector must have been strengthened by provision of the suitable research
Research
Research can be defined as the scientific search for knowledge, or as any systematic investigation, to establish novel facts, solve new or existing problems, prove new ideas, or develop new theories, usually using a scientific method...
base. The grid infrastructure constituted such a base, on which the specialized systems specific for various fields of science were created, involving services and tools oriented on the used types of applications.
External links
- The web site of the PL-Grid project in the Academic Computer Centre Cyfronet AGH
- The web site of the Polish Ministry of Regional Development - the Managing Authority of the Innovative Economy Operational Program
- The web site of the Polish Ministry of Science and Higher Education - the Intermediate Body in implementation of the priority 2. "Research and Development infrastructure"