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
