[gmx-users] Importance of -rcon and -dd options when using mdrun with mpi.

2012-03-14 Thread PAVAN PAYGHAN
Dear Gromacs Users, I am running mdrun on single node with 8 CPU and getting following error Fatal error:- D D cell 1 0 0 could only obtain 1520 of the 1521 atoms that are connected via constraints from the neighbouring cells. This probably means your constraint length are too long compared

Re: [gmx-users] Importance of -rcon and -dd options when using mdrun with mpi.

2012-03-14 Thread Mark Abraham
On 14/03/2012 9:54 PM, PAVAN PAYGHAN wrote: Dear Gromacs Users, I am running mdrun on single node with 8 CPU and getting following error Fatal error:- D D cell 1 0 0 could only obtain 1520 of the 1521 atoms that are connected via constraints from the neighbouring cells. This probably