[gmx-users] implicit water simulation mpi

[Halima Mouhib]

Hi,
I have a question on how to run implicit water simulations using the Gromacs5.x series. 
Unfortunately, there is a problem with the domain decomposition when using the command:  gmx mdrun -deffnm md -v 
 
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Fatal error:
Domain decomposition does not support simple neighbor searching, use grid searching or run with one MPI rank
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and it works fine with one MPI rank ( gmx mdrun -deffnm md -v -nt 1 ), but I need it to run in parallel otherwise it is too slow. 

In the previous Gromacs4.x versions, this could simply be solved using the point decomposition method (mdrun -pd). 
  
  How this has been replaced in Gromacs5.x?  

Thanks a lot in advance!Lima