[gmx-users] ci variable range error in parallel but NOT in serial
dtmirij at sandia.gov
Sat May 19 22:08:58 CEST 2007
That was a typo in the second paragraph.
" When I run the exact same system from the same starting conditions using
my PARALLEL built executable on two processors, I get the following error
after running for over a half million timesteps"
And by the way this error will happen after different ps of simulation from
starting conditions when I use different number of processor (obviously as
the trajectories will be different).
And each time the ci value is just "barely" out of range. I saw in another
posting about this ci problem that it could have to do with the pressure
> Hello everyone,
> I am running starting from a minimized/equilibrated structure.
> When I run the the system with my serial built executable, it runs fine and
> the energies and pressures look fine.
> When I run the exact same system from the same starting conditions using my
> serial built executable on two processors, I get the following error after
> running for over a half million timesteps:
How do you run a serial build executable on two processors?
More information about the gromacs.org_gmx-users