On the Parallelization of CHARMM on the CM-5/5E

  • Jill P. Mesirov
  • Pablo Tamayo
  • Robert J. Nagle
Part of the The IMA Volumes in Mathematics and its Applications book series (IMA, volume 82)


We describe a new port of CHARMM to the CM-5 supercomputer. This port is based on the original B-H parallelization of CHARMM[2] for MIMD machines but it has an improved communications library.


Load Imbalance Active Message Communication Library Vector Global Innermost Loop 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


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Copyright information

© Springer-Verlag New York, Inc. 1996

Authors and Affiliations

  • Jill P. Mesirov
    • 1
  • Pablo Tamayo
    • 2
  • Robert J. Nagle
    • 3
  1. 1.Computer Science DepartmentBoston UniversityBostonUSA
  2. 2.Thinking Machines Corp.CambridgeUSA
  3. 3.Chemistry DepartmentHarvard UniversityCambridgeUSA

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