I am interested in this as well, since I am planning to compile version 4.0.2 in Blue Gene within a few days (once I get hold of my account!).
-- Suman Chakrabarty. On Wed, Nov 12, 2008 at 8:21 PM, Mike Hanby <[EMAIL PROTECTED]> wrote: > Has there been any further discussion about fixing the issues discussed > below regarding Blue Gene? > > -----Original Message----- > From: [EMAIL PROTECTED] > [mailto:[EMAIL PROTECTED] On Behalf Of Mark Abraham > Sent: Thursday, October 16, 2008 10:43 PM > To: Gromacs Users > Subject: [gmx-users] GROMACS on Bluegene > > Hi, > > I can see GROMACS 4.0 has inner loops apparently optimized for BlueGene, > > however the distribution is incomplete. At least the files > > interaction.h > nb_kernel_w3_bluegene.h > nb_kernel_w3w3_bluegene.h > nb_kernel_w4_bluegene.h > nb_kernel_w4w4_bluegene.h > nb_kernel_gen_bluegene.h > > are missing from src/gmxlib/nonbonded/nb_kernel_bluegene in the official > > distribution. > > Further, src/gmxlib/nonbonded/nb_kernel_bluegene/nb_kernel_bluegene.h > contains the contents of file > src/gmxlib/nonbonded/nb_kernel_x86_64_sse/nb_kernel_x86_64_sse.h which > obviously won't work. > > Further, GROMACS configure won't work out-of-the-box on this platform > (see also > http://www.gromacs.org/pipermail/gmx-users/2008-October/037179.html and > discussions on this list months back). Since I can see in the source > code that Mathias Puetz at IBM has done (at least some of) the > development work here, then I suggest that IBM may like to provide some > official build instructions. I have my own black magic that makes > configure work on my machine, and I'm prepared to make that available > off-list to interested parties, but I don't know how portable it will be > > between Bluegene installations. A better solution should be available if > > one of the GROMACS developers can approach the IBM people for us, > please. > > Mark > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before > posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > -- > This message has been scanned for viruses and > dangerous content by MailScanner, and is > believed to be clean. > > _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
