[gmx-users] Precision mismatch

[Mark Abraham]

On 02/04/11, Sai Pooja  <saipooja at gmail.com> wrote:
> Hi
> 
>  
> 
> Precision mismatch for state entry nosehoover-xi, code precision is double, file precision is float
> 
>  
> 
> I am trying to extend an mdrun from a restart file. I get the error pasted above. The restart file was generated on a different cluster and I am now extending these simulations. Can this be resolved?
> 
> 

Sure. Use a single-precision version of GROMACS on the new cluster (and tell the admins that the double-precision version of GROMACS has a different executable suffix for a reason...).

Mark
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