Re: [gmx-users] multiple processor running of gromacs-4.0.4

Hi Mark, You are right that treating electrostatics and vdw without cutoff and use multiple processors to speed up doesn't make any sense. Using cutoff for electrostatics and vdw without using pbc and pme, the system can't run on parallel (using flag -pd doesn't work either), but works on single n

Re: [gmx-users] multiple processor running of gromacs-4.0.4

Jianhui Tian wrote: Hi, I have a small system of fullerene ball with waters. I want to simulation the system without pbc and pme, treating the coulomb and vdw without cutoff. The system can be run on single processor. But when I try to run it with multiple processors, it can't proceed. I am i

[gmx-users] multiple processor running of gromacs-4.0.4

Hi, I have a small system of fullerene ball with waters. I want to simulation the system without pbc and pme, treating the coulomb and vdw without cutoff. The system can be run on single processor. But when I try to run it with multiple processors, it can't proceed. I am including the error messag