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High Performance Computing environment in the Wroclaw Centre for Networking and Supercomputing combines multiple independent systems connected via a high-speed network to solve complex scientific problems in numerous disciplines. This includes computational chemistry, physics, fluid dynamics, finite element modeling, mathematics, acoustics and many others. WCSS provides access to several rare or expensive software packages, tools and libraries.
WCSS is equipped with the following high performance computing hardware:
2016 cores Intel cluster, 19TFLOPS
with LUSTRE shared storage - total peak random speed is 6GB/s, linear speed is 10 GB/s,
SGI Altix 3700 Bx2, 128 processors,
SGI Tezro visual workstation,
SGI Octane workstation.
All user data is stored on redundant Storage Area Network (SAN), consisting of Fiber-Channel, Serial- and Parallel-ATA disk arrays and tape library. Backup and archive copies are managed by Tivoli Storage Management software.
The most frequently used software packages are:
- Gaussian and GAMESS - a complete systems of ab initio programs for molecular electronic structure calculations
- Accelrys software - molecular modeling of bio- and solid-state systems. It includes the following packages:
InsightII - modelling of large biological molecules
Cerius - modelling of small molecules and solids
Quanta - molecular modelling;
Catalyst - drug discovery;
- ADF - universal density functional package;
- SYBYL- molecular modeling suite;
- MOLCAS and MOLPRO - high-performance, accurate ab intio calculations ;
- CPMD and CHARMM - highly scalable QM/MM;
- NWChem and Gromacs - highly scalable molecular electronic structure calculations;
- TURBOMOLE - Program Package for ab initio Electronic Structure Calculations;
- Abaqus - finite element modelling
- MSC Software - modeling of any complex structure or object:
MSC.Nastran - is the world's most widely used program for FEM analyses of engineering problems. This product is modular and enabling you to analyze products ranging from simple components to complex structures and systems.
MSC.Mentat - a finite element pre- and post-processors, can be exported for structural analysis with MSC.Marc and MSC.Nastran
MSC.Patran - MSC.Patran. is a general purpose CAE simulation solution for interactive, 3D modeling and visualization of engineering analysis results
MSC.Adams - is functional virtual prototyping software which allows the user to mathematically simulate and visualize the 3D motion and force behavior of a mechanical system, under real-world operating conditions,software for building, testing, reviewing, and improving mechanical systems before committing to physical prototypes
MSC.Dytran - a general purpose, explicit finite element analysis program for simulating the nonlinear dynamic response of structures and mechanical components
MSC.SuperForm - provides integrated 2D and 3D finite element analysis for numerous component manufacturing applications
MSC.Fatigue - enables you to quickly and accurately predict how long your products will last under any combinations of time-dependent or frequency-dependent loading conditions, and to optimize your products for weight and shape.
More than 100 scientists utilise available software and hardware in fields of chemistry, physics, mechanics, computer science and others.
- Matlab - scientific computations and visualization
- Compilers: GNU, Intel, MIPSPro, PGI, Compaq
- Libraries: ATLAS, MKL, SCSL, LAPACK, GOTO, MPT, LAM, MVAPICH