[gmx-users] Problem of running double precision with constraint forces by pull code

[Mark Abraham]

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.

Mark