Abstract
This report compares the performance of the DL_POLY general-purpose molecular dynamics simulation package on the LIT JINR computing cluster CICC with various communication systems. The comparison involved two cluster architectures: Gigabit Ethernet and InfiniBand technologies, respectively. The code performance tests include some comparison of the CICC cluster with the special-purpose computer MDGRAPE-3 developed at RIKEN for a high-speed acceleration of the MD (molecular dynamics) without a fixed cutoff. The DL_POLY benchmark covers a set of typical MD system simulations detailed below.
| Original language | English |
|---|---|
| Pages (from-to) | 251-259 |
| Number of pages | 9 |
| Journal | Physics of Particles and Nuclei Letters |
| Volume | 6 |
| Issue number | 3 |
| DOIs | |
| Publication status | Published - 2009 |
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ASJC Scopus subject areas
- Nuclear and High Energy Physics
- Atomic and Molecular Physics, and Optics
- Radiation
- Radiology Nuclear Medicine and imaging
Cite this
JINR CICC in computational chemistry and nanotechnology problems : DL_POLY performance for different communication architectures. / Dushanov, E.; Kholmurodov, Kh; Aru, G.; Korenkov, V.; Smith, W.; Ohno, Y.; Narumi, T.; Morimoto, G.; Taiji, M.; Yasuoka, Kenji.
In: Physics of Particles and Nuclei Letters, Vol. 6, No. 3, 2009, p. 251-259.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - JINR CICC in computational chemistry and nanotechnology problems
T2 - DL_POLY performance for different communication architectures
AU - Dushanov, E.
AU - Kholmurodov, Kh
AU - Aru, G.
AU - Korenkov, V.
AU - Smith, W.
AU - Ohno, Y.
AU - Narumi, T.
AU - Morimoto, G.
AU - Taiji, M.
AU - Yasuoka, Kenji
PY - 2009
Y1 - 2009
N2 - This report compares the performance of the DL_POLY general-purpose molecular dynamics simulation package on the LIT JINR computing cluster CICC with various communication systems. The comparison involved two cluster architectures: Gigabit Ethernet and InfiniBand technologies, respectively. The code performance tests include some comparison of the CICC cluster with the special-purpose computer MDGRAPE-3 developed at RIKEN for a high-speed acceleration of the MD (molecular dynamics) without a fixed cutoff. The DL_POLY benchmark covers a set of typical MD system simulations detailed below.
AB - This report compares the performance of the DL_POLY general-purpose molecular dynamics simulation package on the LIT JINR computing cluster CICC with various communication systems. The comparison involved two cluster architectures: Gigabit Ethernet and InfiniBand technologies, respectively. The code performance tests include some comparison of the CICC cluster with the special-purpose computer MDGRAPE-3 developed at RIKEN for a high-speed acceleration of the MD (molecular dynamics) without a fixed cutoff. The DL_POLY benchmark covers a set of typical MD system simulations detailed below.
UR - http://www.scopus.com/inward/record.url?scp=66449094986&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=66449094986&partnerID=8YFLogxK
U2 - 10.1134/S154747710903011X
DO - 10.1134/S154747710903011X
M3 - Article
VL - 6
SP - 251
EP - 259
JO - Physics of Particles and Nuclei Letters
JF - Physics of Particles and Nuclei Letters
SN - 1547-4771
IS - 3
ER -