CRYSTAL with its massive parallel (MPP) extension is one of the few software products able to address cutting-edge research projects on HPC architectures. MPPcrystal has been designed to work efficiently on thousands of processors. It can treat very large unit cell systems with large memory requirements, as matrices in the reciprocal space are fully distributed over the processors. An excellent scalibility in terms of both speed-up and memory usage has been obtained up to more than 8000 processors. MPP features make it particularly suitable to be run on High Performance Supercomputing facilities. read more about performance...
CRYSTAL is used worldwide by Universities, Research Centres, Government labs, Private Companies, with more then 600 licenses distributed in the last three years. CRYSTAL has been successfully applied in many areas: from solid state chemistry and physics to materials science, from mineralogy to crystallography with applications on semiconductors, molecular crystals, biomaterials, metal-organic frameworks, surfaces and interfaces, minerals, hydrogen storage materials and many others.
Case studies on Computer Centres
CRYSTAL has been recently used in large scale projects
granted with millions of CPU hours within the PRACE initiative. PRACE (Partnership for Advanced Computing in Europe) provides a persistent world-class High Performance Computing service for scientists and researchers from academia and industry.
Special offer for Computer Centres
Order CRYSTAL basic "computer centres" license with MPP extension within November 30th 2015
. You will benefit by the special 50% discount
over the MPP extension and support services for installation. « News archive