Re: [gmx-users] Error There is no domain decomposition for 6 nodes that is compatible

2012-10-05 Thread Justin Lemkul
On 10/5/12 5:35 AM, lloyd riggs wrote: you have to play with the ratio usually of domain decompositions Vs. Grid size, I had that error some time ago though, if you look at the generated .mdp from the one you show (-o xxx.mdp), then look at the set FFT or xyz grid spacing and play with it.

Re: [gmx-users] Error There is no domain decomposition for 6 nodes that is compatible

2012-10-05 Thread lloyd riggs
you have to play with the ratio usually of domain decompositions Vs. Grid size, I had that error some time ago though, if you look at the generated .mdp from the one you show (-o xxx.mdp), then look at the set FFT or xyz grid spacing and play with it. It dosent like odd numbers or non-whole d

Re: [gmx-users] Error There is no domain decomposition for 6 nodes that is compatible

2012-10-04 Thread Justin Lemkul
On 10/4/12 4:54 PM, Sonia Aguilera wrote: Hi, I am performing a free energy calculation based on Justin Lemkul's tutorial. My system is a protein in water and dodecane and I'm coupling the protein considering none to only vdw interactions for my lambda 0 and 1 states. However, I get this error

[gmx-users] Error There is no domain decomposition for 6 nodes that is compatible

2012-10-04 Thread Sonia Aguilera
Hi, I am performing a free energy calculation based on Justin Lemkul's tutorial. My system is a protein in water and dodecane and I'm coupling the protein considering none to only vdw interactions for my lambda 0 and 1 states. However, I get this error when trying to minimize the system: Fatal e