[gmx-users] Problem of running double precision with constraint forces by pull code
Mark.Abraham at anu.edu.au
Thu Feb 14 01:42:48 CET 2008
wendung at umich.edu wrote:
> Hi all,
> I have problem while running constraint forces by pull code. My system
> contains two diamond slabs with TAG molecules in between. I put
> constraint on two diamond slabs to slide two slabs against each other.
> My problem is that the code will stuck at around 64000 steps. Though it
> seems that the program is still running but there is no new output data
> have been written to the output files. The sliding speed is 0.016 nm/ps.
> Please give me some suggestions. Thank you.
You may have filled up your filespace, or run into a maximum-file-size
limit of your OS or hardware.
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