[gmx-users] walls - segmentation fault

Aranha, Michelle maranha at vols.utk.edu
Mon Mar 9 17:14:22 CET 2015


Hello,

When I use walls with pbc  =xy for the nanotube membrane - water system I get the following error which results in a segmentation fault:
DD cell 0 0 0 could only obtain 126 of the 130 atoms that are connected via constraints from the neighboring cells. This probably means your constraint lengths are too long compared to the domain decomposition cell size. Decrease the number of domain decomposition grid cells or lincs-order.

I have tried decreasing lincs order with no success.I am using Gromacs 4.6.1 (single precision), 2 cores. The simulation runs fine in 3d pbc without walls.
Any suggestion would be greatly appreciated.

Best regards,
Michelle??



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