[gmx-users] intel grompp with pathscale mdrun

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

Re: [gmx-users] intel grompp with pathscale mdrun

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.ne...@utoronto.ca wrote: Dear users: can I use a .tpr file created with an intel icc

[gmx-users] intel grompp with pathscale mdrun

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RE: [gmx-users] intel grompp with pathscale mdrun

...@utoronto.ca Sent: Wednesday, December 07, 2011 8:15 AM To: gmx-users@gromacs.org Subject: [gmx-users] intel grompp with pathscale mdrun Thank you Matthew. your suggestion for the hanging .o compilation sounds good. I didn't try it because in the end the intel compiler produced the fastest executables