Re: NAMD on CELL BE

From: David Kunzman (kunzman2_at_uiuc.edu)
Date: Thu May 10 2007 - 17:03:37 CDT

Hello,

    As the warning above the NAMD section states, this work is in
progress and those directions are mainly there for me. At this point,
none of the architecture files and modified NAMD source code files are
checked into the NAMD cvs.

Dave K

Gengbin Zheng wrote:
>
> Forwarded this email to David Kunzman who is the main developer of the
> Charm++ version on Cell.
>
> Gengbin
>
> Gengbin Zheng wrote:
>>
>>
>>
>> Alexandre A. Vakhrouchev wrote:
>>> Hi! I'm trying to build NAMD on CELL BE. Using Fedora Core 6 for ppc
>>> and IBM SDK 2.1
>>> I checked ot NAMD sources from CVS, but I didn't find CELL arch
>>> files, which David Kunzman means at
>>> http://charm.cs.uiuc.edu/~kunzman/Cell/CellNotes.htm
>>> <http://charm.cs.uiuc.edu/%7Ekunzman/Cell/CellNotes.htm> at NAMD
>>> section:
>>>
>>> Target Architecture: *Linux-Cell-g++*, *Linux-Cell-xlc* (comming soon)
>>> /(For the rest of these notes, it is assumed that *Linux-Cell-g++* is
>>> the target architecture.)/
>>>
>>> # In *[namd2Dir]/arch/[targetArchitecture].arch*, modify
>>> *CELL_SDK_DIR* to point to your Cell SDK directory /(this directory
>>> should be the same as what it was for the Charm++ directions above).
>>> /
>>> # /In *[namd2Dir]/Make.charm*, set *CHARMBASE* to point to your
>>> Charm++ directory /(this directory should match the location of
>>> *[charmDir]* in the directions for building Charm++ above). //
>>> # Building FFTW:
>>>
>>> // //
>>> // //
>>>
>>> 1) Get the FFTW v2.1.5 source code tar-file
>>> <http://www.fftw.org/fftw-2.1.5.tar.gz> from the FFTW Website
>>> <http://www.fftw.org/>.
>>> (original link from here <http://www.fftw.org/download.html>).
>>> 2) Use the following configure command: *./configure --build=ppc
>>> --host=i386-linux --prefix=[fftwInstallDir] --enable-float
>>> --enable-type-prefix CC=ppu32-gcc*
>>> /(*Note*: This assumes the host you are building on has an x86
>>> compatible processor and is running linux... otherwise, replace
>>> *--host=i386-linux*)/
>>> 3) Do a *make install*
>>> 4) In *[namd2Dir]/arch/Linux-Cell.fftw*, set *FFTDIR* to point to the
>>> directory fftw was installed to (i.e. - what *[fftwInstallDir]* was
>>> set to in step 2 of "Building FFTW" above.
>>> /...Othewise, follow their directions.../
>>>
>>> // //
>>> // //
>>> # //Building TCL: /(... comming soon ...)/
>>> //
>>> # //Building NAMD: The configure command for *Linux-Cell-g++* is
>>> *./config fftw Linux-Cell-g++* /(executed in the *[namd2Dir]*
>>> directory). ///
>>> # ///Once configured, *cd* into the newly created
>>> *[namd2]/Linux-Cell-g++* directory and do a *make*///
>>>
>>> Are the CELL arch files in sourcecode or do I have to make them by
>>> myself?
>>>
>>> Best regards,
>>> Dr. Alexandre Vakhrouchev
>>>
>

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:46:17 CST