Hi,
GROMACS assumes the file systems actually write to disk when you use the
system call that means that, and works correctly if so. But if the file
system or its configuration don't actually do that (for "performance" or
erroneous reasons), then all bets are off. mdrun can't even know if it's
Thanks Mark,
Ok, so it sounds very much like it¹s on the cluster side. I¹ll fire this
across to one of the sys admins and see if they can find out what the
problem is, although I have no idea what and if they will find anything.
>From the looks of it, the reading of the checkpoint file data was