[gmx-users] different mdrun errors in different machines

[Rebeca García Fandiño]

Dear GROMACS users,
I am carrying out a MD simulation in GROMACS, and I am having problems in the mdrun step. We have tried it in two different machines:

-The first of them is a 64 bytes system. There is no problem at all in this machine.

-However, in another machine of 32 bytes system,  mdrun step leads to an error:

NOTE: the minimum cell size is smaller than 1.05 times the cell size limit, will not turn on dynamic load balancing

NOTE: This file uses the deprecated 'group' cutoff_scheme. This will

be removed in a future release when 'verlet' supports all interaction forms.

This error could be associated to the size of the box, as it has been previously suggested 

http://comments.gmane.org/gmane.science.biology.gromacs.user/24594

However, if it was the problem, why is it not taking place in both machines? Could it be maybe a problem related with the architecture?

Thanks a lot in advance,

Best wishes,

Rebeca

Dr. Rebeca Garcia
Santiago de Compostela University
Spain