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

Mark Abraham 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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