kelly@think.com (Kelly Pickard) (05/22/91)
I forwarded the article to one of the people I
work with for his comments, listed below. Additionally,
TMC is working on a pentadiagonal solver that will be
included in a future release of the CMSSL (CM Scientific
Software Library).
Regards,
Kelly Pickard
Thinking Machines Customer Support
------
Regarding this spectral problem, I have no experience with
penta-diagonal solvers, but it seems to me that the calculation
would be order nx*ny, whereas the FFT in nx*ny*ln(ny). This
seems to indicate that the FFT will dominate his calculations.
He should try weighting the y axis so his fft is mostly on
processor, and compare that to the generic layout performance.
Rich
------- Forwarded Message
Date: Fri, 17 May 91 15:02:36 -0400
From: kurt@Think.COM
To: science@Think.COM
Subject: spectral code request
from comp.parallel:
Article 2604 (1 more) in comp.parallel (moderated):
From: jek@cs.duke.edu (James E. Kittock)
Subject: Pseudospectral codes on the CM-II...
Date: 16 May 91 18:50:50 GMT
....chasman@athena.mit.edu (David Chasman) (05/23/91)
Umm,
I and my co-authors have spectral code up and running on the CM.
3-D is currently being coded.
Refs:
@ARTICLE{cmachine:1:chasman-silbey,
AUTHOR = " David Chasman and Robert J. Silbey and Michael Eisenberg",
TITLE = { Massively Parallel Time Dependent Wave-Packet Calculations
in a Classically Chaotic Potential},
JOURNAL = { Chem. Phys. Lett.},
YEAR = { 1990 },
VOLUME = { 175 },
NUMBER = { 6 },
PAGES = { 633-640 },
MONTH = { Dec. },
}
For a little more detail, we have a paper currently in press in Theoretica
Chimica Acta , soon to be published:
\title{\large\bf Massively Parallel High Energy \\
Time Dependent Wave-Packet Calculations \\
Prepared for : Theoretica Chimica Acta \\
Parallel Computing for Chemical Reactivity \\
Perugia, Italy \\
August 31 - September 1 , 1990
}
(same authors as above )
Finally, we are finishing off a 3-D release of our code using the
Chebeychev propogator of Kosloff et. al. in CM-fortran which will
be ready at the end of june. For wave-packet people, this will allow
you to just plug in a potential and an initial condition.
If you want details and/or papers drop me a line
David Chasman
MIT 6-230
Cambridge MA 02139
USA
PHONE: (617) 253-1538 (work)
FAX: (617) 253-7030