35,912 research outputs found
GAMER: a GPU-Accelerated Adaptive Mesh Refinement Code for Astrophysics
We present the newly developed code, GAMER (GPU-accelerated Adaptive MEsh
Refinement code), which has adopted a novel approach to improve the performance
of adaptive mesh refinement (AMR) astrophysical simulations by a large factor
with the use of the graphic processing unit (GPU). The AMR implementation is
based on a hierarchy of grid patches with an oct-tree data structure. We adopt
a three-dimensional relaxing TVD scheme for the hydrodynamic solver, and a
multi-level relaxation scheme for the Poisson solver. Both solvers have been
implemented in GPU, by which hundreds of patches can be advanced in parallel.
The computational overhead associated with the data transfer between CPU and
GPU is carefully reduced by utilizing the capability of asynchronous memory
copies in GPU, and the computing time of the ghost-zone values for each patch
is made to diminish by overlapping it with the GPU computations. We demonstrate
the accuracy of the code by performing several standard test problems in
astrophysics. GAMER is a parallel code that can be run in a multi-GPU cluster
system. We measure the performance of the code by performing purely-baryonic
cosmological simulations in different hardware implementations, in which
detailed timing analyses provide comparison between the computations with and
without GPU(s) acceleration. Maximum speed-up factors of 12.19 and 10.47 are
demonstrated using 1 GPU with 4096^3 effective resolution and 16 GPUs with
8192^3 effective resolution, respectively.Comment: 60 pages, 22 figures, 3 tables. More accuracy tests are included.
Accepted for publication in ApJ
Large Scale In Silico Screening on Grid Infrastructures
Large-scale grid infrastructures for in silico drug discovery open
opportunities of particular interest to neglected and emerging diseases. In
2005 and 2006, we have been able to deploy large scale in silico docking within
the framework of the WISDOM initiative against Malaria and Avian Flu requiring
about 105 years of CPU on the EGEE, Auvergrid and TWGrid infrastructures. These
achievements demonstrated the relevance of large-scale grid infrastructures for
the virtual screening by molecular docking. This also allowed evaluating the
performances of the grid infrastructures and to identify specific issues raised
by large-scale deployment.Comment: 14 pages, 2 figures, 2 tables, The Third International Life Science
Grid Workshop, LSGrid 2006, Yokohama, Japan, 13-14 october 2006, to appear in
the proceeding
Innovative in silico approaches to address avian flu using grid technology
The recent years have seen the emergence of diseases which have spread very
quickly all around the world either through human travels like SARS or animal
migration like avian flu. Among the biggest challenges raised by infectious
emerging diseases, one is related to the constant mutation of the viruses which
turns them into continuously moving targets for drug and vaccine discovery.
Another challenge is related to the early detection and surveillance of the
diseases as new cases can appear just anywhere due to the globalization of
exchanges and the circulation of people and animals around the earth, as
recently demonstrated by the avian flu epidemics. For 3 years now, a
collaboration of teams in Europe and Asia has been exploring some innovative in
silico approaches to better tackle avian flu taking advantage of the very large
computing resources available on international grid infrastructures. Grids were
used to study the impact of mutations on the effectiveness of existing drugs
against H5N1 and to find potentially new leads active on mutated strains. Grids
allow also the integration of distributed data in a completely secured way. The
paper presents how we are currently exploring how to integrate the existing
data sources towards a global surveillance network for molecular epidemiology.Comment: 7 pages, submitted to Infectious Disorders - Drug Target
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