Re: [gmx-users] There is no domain decomposition for 16 nodes that is compatible with the given box and a minimum cell size of 0.826223 nm

4.5 can only handle about 500-1000 atoms per processor. Details vary. Mark On Oct 17, 2013 5:39 AM, Nilesh Dhumal ndhu...@andrew.cmu.edu wrote: Thanks for you reply. I am doing simulation for ionic liquids BMIM + CL. Total number of atoms are 3328. Nilesh Assuming you're using LINCS,

[gmx-users] There is no domain decomposition for 16 nodes that is compatible with the given box and a minimum cell size of 0.826223 nm

Hello, I am getting the following error for simulation. I am using Gromacs VERSION 4.5.5 and running on 24 processors. Should I reduce the number of processor or the problem is in bonded parameters. If I use -nt 1 option. I could run the simulation. Fatal error: There is no domain decomposition

Re: [gmx-users] There is no domain decomposition for 16 nodes that is compatible with the given box and a minimum cell size of 0.826223 nm

Assuming you're using LINCS, from the manual: With domain decomposition, the cell size is limited by the distance spanned by *lincs-order*+1 constraints. Assuming a default lincs-order (4), 0.82nm seems a fairly sane distance for 5 bonds. Which means that you're probably using too many nodes for

Re: [gmx-users] There is no domain decomposition for 16 nodes that is compatible with the given box and a minimum cell size of 0.826223 nm

Thanks for you reply. I am doing simulation for ionic liquids BMIM + CL. Total number of atoms are 3328. Nilesh Assuming you're using LINCS, from the manual: With domain decomposition, the cell size is limited by the distance spanned by *lincs-order*+1 constraints. Assuming a default