[gmx-users] Finishing time donot showing

Justin A. Lemkul jalemkul at vt.edu
Tue Apr 20 16:21:27 CEST 2010

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 A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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