Outcomes of Cray-Biology Workshop:

  Since Pratul Agarwal uses AMBER extensively, and since Cray is
  currently porting AMBER to the X1, it was deemed obvious that Cray
  should work with Pratul.  We see this as a code we can use for the
  Cray Evaluation, and Pratul can work with Cray with regard to input
  decks, future directions, etc.

  Pratul uses AMBER, CHARMS, GROMOS, GROMACS, NAMD, but says that AMBER
  provides better parameterization.  AMBER can be obtained from Dave
  Case of The Scripps Research Institute.

  Nagiza and Andrey gave presentations on their work, but did not say
  there was code or codes that they thought were important enought (at
  this time) to port to the X1.  Cray plans to follow-up with Nagiza
  regarding needs in the area of genome-to-genome comparison for which
  Cray has some code developed.  There was quite a bit of interest in
  the Cray BioLib; both contributing to and using parts of it.

  This was also true for the Bioinformatics researchers.  Phil L. was
  especially interested in the BioLib and there was discussion about
  Phil contributing parts of his C library primitives.

  Cray also plans on following up with Ying Xu concerning pathway
  modeling and PROSPECT.  The first step would be to get Ying Xu's
  paper(s) to Jim Maltby. 

  There were also attendees from the Biomedical community.  In
  particular, Lee Hively and Richard Ward gave talks.  Lee Hively's talk
  clearly showed that his project could benefit from parallelization of
  the code, and running on a cluster or a supercomputer.  The outcome of
  this was to continue working with him, but the X1 is not a target at
  this time.

  Also, Richard Ward gave a presentation on some orthopedic research and
  the codes they use.  He mentioned PHI3D and PICMSS.  PICMSS is a
  finite- element fluid flow code kept up by UT - actually Kwai from
  JICS.  I do not believe this has any priority, but Kwai could do a
  port on his time.


Attendees:
 Jim Maltby
 Christy Adkinson
 Larry H.
 Andrey Gorin
 Nagiza Samatova
 James White (Trey)
 Mike Leuze
 Jeff Nichols
 Al Geist
 George Ostrouchov
 Gong-Xin Yu
 Hyuk Soon Choi
 Pratul Agarwal
 Robert Day
 Ed Uberbacher
 Ying Xu
 Phil Locascio
 Lee Hively
 Richard Ward
 Kathe Fischer
 Nancy Munro
 4 others (did not get name)