Re: [gmx-users] Problem building Gromacs-4.5.5 on BlueGene/Q

On Fri, Nov 9, 2012 at 3:29 PM, Christopher Neale < chris.ne...@mail.utoronto.ca> wrote: > Dear Dejun: > > I don't know why --enable-bluegene gives you problems or what it is > supposed to do. Was the BGQ even > available when gromacs 4.5.5 came out? I doubt it. > There's no code currently optimi

[gmx-users] Problem building Gromacs-4.5.5 on BlueGene/Q

Dear Dejun: I don't know why --enable-bluegene gives you problems or what it is supposed to do. Was the BGQ even available when gromacs 4.5.5 came out? I doubt it. In any event, here is how my colleague successfully ran configure: ./configure \ --build=ppc64 \ --prefix=${HOME}/exec/gro

[gmx-users] Problem building Gromacs-4.5.5 on BlueGene/Q

Hi all, I'm trying to build the mdrun binary for the BGQ system with the following commands (current dir is /scratch/dlin13/gromacs/gromacs-4.5.5/backend) : ../configure --prefix=/scratch/dlin13/gromacs/gromacs-4.5.5/backend \ --build=powerpc64-bgq-linux \ --enable-bl