• As part of the Human Brain Project we are working on accelerating the NEST-MC neuron simulator in GPU architectures.


  • Alya is a high performance computational mechanics code to solve complex coupled multi-physics / multi-scale problems, which are motsly coming from the engineering realm. Among the different physics solved by Alya we can mention: incompressible/compressible flow, non-linear solid mechanics, chemistry, particle transport, heat transfer, turbulence modeling, electrical propagation, etc.
  • We are working on porting parts of ALYA to GPU using CUDA, OmpSs, and OpenACC; advanced rendering using NVIDIA IndeX; and in-situ visualization.


  • Using technological advances in protein structure prediction, we have developed PELE (an acronym for Protein Energy Landscape Exploration), a novel method to perform protein energy landscape explorations. PELE combines a Monte Carlo stochastic approach with protein structure prediction algorithms and is capable of accurately reproducing long time scale processes in only few hours of CPU.
  • RMSD calculation of biomolecule conformations. It is specially proficient when used to perform computationally expensive collective operations like pairwise RMSD matrices. The RMSDCalculator object, which implements three well known superpositon algorithms (Kabsch's, QTRFIT and QCP) have OpenMP and Cuda versions, allowing in this way to fully exploit your machine resources (with a 5-11x speedup compared with the serial version).

ParCFD, May 16-20, 2011 - Barcelona

  • ParCFD: May 16-20, 2011 - Barcelona. ParCFD is the annual international conference dedicated to the discussion of recent developments and applications of parallel computing in the field of CFD and related disciplines.

AMBER Workshop, 3-6 May, 2011 - Barcelona

  • AMBER Workshop: 3-6 May, 2011 - Barcelona. AMBER (an acronym for Assisted Model Building with Energy Refinement) is a family of force fields and programs for molecular dynamics of biomolecules originally developed by the late Peter Kollman's group at the University of California, San Francisco. This workshop by Ross C. Walker and Adrian E. Roitberg, lasted 4 days and they taught Molecular Dynamics via practical introduction to the AMBER Molecular Dynamics Software.
  • In total, 60 attendees from 13 different countries participated in this course organized by the Barcelona Supercomputing Center (BSC) and the Institute for Research in Biomedicine (IRB Barcelona) and sponsored by Nvidia.
related_events.txt · Last modified: 2017/02/01 11:26 by pfarre CUDA Research Center