[gmx-users] intel grompp with pathscale mdrun

[Matthew Zwier]

Should work just fine.

As far as compilation hanging...maybe hand-compile that .o with less
aggressive optimization flags, then try "make" again?

MZ

On Tue, Dec 6, 2011 at 2:20 PM, Chris Neale <chris.neale at utoronto.ca> wrote:
> Dear users:
>
> can I use a .tpr file created with an intel icc compilation of grompp and
> then do mdrun under a pathscale compilation of mdrun  ? (same version of
> gromacs)
>
> I'm wondering if there would be some strange behaviour. It seems like it
> should be ok, but I wanted to be sure.
>
> I ask because I can only compile mdrun with the pathscale compiler because
> make install hangs while make install-mdrun works fine. make install is
> hanging on making g_rms.o as previously posted:
> http://lists.gromacs.org/pipermail/gmx-users/2011-December/066682.html . I
> tried this again with the 4.0.12.1 version of the compiler and have the same
> result.
>
> Thank you,
> Chris.
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