[gmx-users] Identical energies generated in a rerun calculation ... but ...

[Mark Abraham]

Berk Hess wrote:
> Hi,
> 
> I think you can replace all state-> by state_global-> within { } after 
> the if statement
> on line 929 of md.c.
> Then I think it should work for serial, PD and DD.
> 
> Mark, could you test if this works and report back?

Thanks for the prompt response.

I had tried something equivalent to this earlier, and kept getting the 
same segfault. I now see why... state_global is only allocated on 
DDMASTER(cr) (or some such), so we need a slightly more cunning 
solution. I'll figure it out tomorrow.

Mark