Re: [gmx-users] Re: Re: nodes error

2012-01-06 Thread Justin A. Lemkul
Albert wrote: is there any solution to fix this? The only solution is to use fewer nodes. You cannot simply split any system into an arbitrarily-chosen number of nodes. The DD algorithm, for the reasons described below, imparts a limit on how many nodes can be used based on how many DD

Re: [gmx-users] Re: Re: nodes error

2012-01-06 Thread Peter C. Lai
By definition it is not really fixable. You could lower some of the parameters that affects the minimum cell size issue: lower your cutoffs and/or chargegroups. However this could affect the validity of the resulting system. Basically the problem here is that your cutoffs or chargegroup size is la

[gmx-users] Re: Re: nodes error

2012-01-06 Thread Albert
is there any solution to fix this? THX On 01/06/2012 09:52 AM, gmx-users-requ...@gromacs.org wrote: "The minimum cell size is controlled by the size of the largest charge group or bonded interaction and the largest of rvdw, rlist and rcoulomb, some other effects of bond constraints, and a saf