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

[Mark Abraham]

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?

Always

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.

Mark

Thank you (again).
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