[gmx-users] No DD grid found

André Ferreira aff at eq.uc.pt
Mon Mar 28 13:37:51 CEST 2011

Dear all,

I am having some problems with some molecules that I am currently 
simulating. I got simulation box that is constituted by 100 oligomer 
molecules (190 atoms each), in a cubic box with 7 nm side (50K). Since 
the molecule is quite long I am using a rcoulomb of 2.8 nm and rvdw of 
3.4 nm. When I try to perform the simulation mdrun can't find DD grid 
for more than 48 cores, which is a huge handicap. This is the first time 
that I am working with longer molecules, and I never had this problem.

Really appreciate the help,

More information about the gromacs.org_gmx-users mailing list