RE: [gmx-users] GROMACS on Bluegene

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

Re: [gmx-users] GROMACS on Bluegene

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

Re: [gmx-users] GROMACS on Bluegene

] 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

Re: [gmx-users] GROMACS on Bluegene

Roland Schulz wrote: Mathias has updated the wiki: http://wiki.gromacs.org/index.php/GROMACS_on_BlueGene That's great, there's a lot of useful info here. There are still outstanding issues with the kernels - see the discussion here and my various bugzillas

Re: [gmx-users] GROMACS on Bluegene

Mike Hanby wrote: I keep failing the ../configure when I have -lmass or -lmassv in LIBS for the frontend gromacs configure: - checking for C compiler default output file name... configure: error: C compiler cannot create executables

[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