[gmx-users] intel grompp with pathscale mdrun

[Mark Abraham]

On 7/12/2011 6:20 AM, Chris Neale 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)

You can run any .tpr with any mdrun regardless of OS, architecture, 
endianness or phase of the moon, so long as that mdrun is at least as 
recent as the .tpr format.

Mark

>
> 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.