[gmx-users] Finishing time donot showing

[Justin A. Lemkul]

Bharath.K wrote:
> Hello all....
> i got a system crash at some steps..
> after creating the new .trr file using command tpbconv and running MDS 
> by mdrun command the approximate finishing time is not showing.....
> and also a warning is showing as
> 
> WARNING: this run may generate approximately 4583292 Mb of data....
> 
> is there any changes that i should do while giving the command and can i 
> continue with this warning.....
> 
> 

Are you using the -v flag with mdrun?  That's the only way I know of to get 
approximate completion time.  If you are using -v, then it could just be that 
your simulation is very slow, a behavior that depends on the size of the system, 
available computing resources, node interconnect, etc.

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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