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Molecular dynamics on hybrid memory machines

  • 6 Applications in Science and Engineering
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Recent Advances in Parallel Virtual Machine and Message Passing Interface (EuroPVM/MPI 1997)

Part of the book series: Lecture Notes in Computer Science ((LNCS,volume 1332))

Abstract

The performances of new clusters of SMP machines is strongly dependent on the available bandwidth on the cluster network architecture. This happens also for applications where, in distributed memory hardware, the bottleneck was connected to the overall latency time of interprocessors communication more than to the available bandwidth. In this paper we will report the results of runs of our molecular dynamics codes for a memory channel cluster of 4 dec 4100 SNIP processors. The two molecular dynamics code are written in fortran with PVM and MPI message passing calls. The request in communication capabilities are different for the two codes, the first is used to study polarizable fluids and contains any to any communications, the second is used for the simulation of glasses at low temperatures and require only first neirbourghs processor communications. We will present the obtained speedups for different bandwidth of the memory channel hub hardware and software configuration.

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References

  1. James V.Lawton et all: Building a High-Performance Message-Passing System for MEMORY CHANNEL Clusters. Digital Technical Journal vol.8 No. 2 1996

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  2. V. Di Martino: Computer Simulation of Polarizable Fluids. First European PVM Meeting, Rome 9–11 October 1994

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  3. V. Di Martino, G. Ruocco, M. Sampoli: Molecular dynamics of polarizable fluids on parallel systems. HPC-ASIA '95 September 18–22, 1995 Taipei, Taiwan.

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  4. F. De Michelis,V. Di Martino, O. Pilla, G. Ruocco, G. Viliani: Search for Two Level systems in a L-J glass on parallel computers, Physics Computing September, 1996 Krakow, Poland.

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Author information

Authors and Affiliations

  1. CASPUR, c/o Univ. di Roma “La Sapienza”, Italy

    V. Di Martino

  2. Dipartimento di fisica, Universita' di L'Aquila, Italy

    G. Ruocco

Authors
  1. V. Di Martino
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  2. G. Ruocco
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Editor information

Marian Bubak Jack Dongarra Jerzy Waśniewski

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© 1997 Springer-Verlag Berlin Heidelberg

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Di Martino, V., Ruocco, G. (1997). Molecular dynamics on hybrid memory machines. In: Bubak, M., Dongarra, J., Waśniewski, J. (eds) Recent Advances in Parallel Virtual Machine and Message Passing Interface. EuroPVM/MPI 1997. Lecture Notes in Computer Science, vol 1332. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-63697-8_116

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  • DOI: https://doi.org/10.1007/3-540-63697-8_116

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  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-63697-7

  • Online ISBN: 978-3-540-69629-2

  • eBook Packages: Springer Book Archive

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