[gmx-users] Compatibility of Files Between Version, Precision, and Compilation

Mark Abraham mark.j.abraham at gmail.com
Tue Sep 16 16:03:29 CEST 2014

On Tue, Sep 16, 2014 at 3:06 PM, Johnny Lu <johnny.lu128 at gmail.com> wrote:

> Hi.
> For cpt, gro, edr, and trr files, can I continue from one version (4.66 or
> 5.01) and precision (single or double), with gromacs of another version
> (4.6.6, or 5.0.1), precision,

Yes, if the relevant features are implemented in both versions. But you
should never want to do that.

> and on another machine?


So far, it seems that tpr file compiled on a machine with sse2 and gromacs
> 4.6.6 double precision causes segmentation fault on another machine without
> sse2 and with gromacs 4.6.6 double precision.

Extremely unlikely. The .tpr file format has been no-problems portable for
about a decade ;-) But if the machine doesn't even have SSE2, then it is
only good for warming your coffee.


Thank you (again).
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