AMBER Archive (2003)

Subject: Re: AMBER: tru64 alpha

From: Robert Duke (rduke_at_email.unc.edu)
Date: Wed Oct 15 2003 - 21:51:20 CDT

Mu -
All the Machine files that contain "axp" somewhere in their name are for the Tru64 OS running on Compaq or HP alphaservers. The generic mpi one is src.pmemd/Machines/Machine.axp_f90_mpi. I have used the Machine.axp_f90_mpi.ev7 file for the salk servers at PSC, and the first file (Machine.axp_f90_mpi) is just a generalization of this one that you can't use on the jonas front-end at PSC because it has a different chip architecture (ie., you can use the generic one if your target machine and build machine have the same chip). There are also axp files with a "quadrics" extension, which you can use if you have a quadrics mpi interconnect between the nodes, as is the case for lemieux.psc.edu, the "terascale computer" at PSC. You should not have any problems with dynamic memory allocation in pmemd. Sorry for the late reply; the UNC email server was dead for 2 days, which kind of backed things up. If you have problems, let me know more about your machine config.
Regards - Bob Duke

  ----- Original Message -----
  From: Mu Yuguang (Dr)
  To: amber_at_scripps.edu
  Sent: Tuesday, October 14, 2003 9:19 PM
  Subject: AMBER: tru64 alpha

  Dear All,

  Do you have experiences in install PMEMD in tru64 alpha machine ?

  Thanks in advance

  yuguang

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