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

[Johnny Lu]

that machine without sse2 is a power7 cluster.
It has altivec 128 simd. I wonder if gromacs can use that?
Where can I find the official compilation switches for power7 (xlc or gcc)?


On Tue, Sep 16, 2014 at 10:03 AM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> 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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