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Parallel computing
IBM's ZRL has developed over the years a deep and broad competence in the field
of parallel and distributed computing. Our internal work on scientific
and technical computing is used as a test bed and driver for innovative parallel
alghorithms and implementations on diverse computer hardware ranging from general-use
high-end supercomputers (p-Series clusters) and Linux clusters (x-Series) to novel
computer architectures such as BlueGene-L.
Our key competencies are:
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distributed memory parallelization using MPI, |
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shared memory parallelization using OpenMP and direct threading, |
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mixed MPI/SMP schemes. |
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The CPMD code has been implemented
and tuned for the entire generation of IBM supercomputers. This made the code
a reference in the world of high-perfomance simulations. Our recent dual-level
(distributed memory/shared memory) implementation of CPMD is able to sustain
1 Teraflop on 32 clustered (via colony switches) p690 systems (1024 processors),
with 45% parallel efficiency (1 to 1024 processors). These are still the best
results for similarly complex codes.
Currently, a system of about 1000 atoms of silicon (corresponding to a memory
size of 250 GB) can be handled with 0.5 TF/s.
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