How to terminate TOUGHREACT when chemistry does not converge

Hi, everyone:

 

  Once setting a new TR simulation into running, the first file i regularly check is runlog.out to see if chemical calculation is doing well. In general, once receiving the following text:

 

  Warning: chemistry did not converge at node   a 3 (routine NEWTONEQ), Non-convergence type:   absolute  Node temperature (C):      10.00  Liq.sat.: .98790E+00
  Mineral: o2(g)      Mass action error =-.3881E+02  Tolerance= 0.1000E-04  Program execution was not aborted.  Check results!
  Time (seconds) = 0.2230E+03

  Warning: chemistry did not converge at node   a 3 (routine NEWTONEQ), Non-convergence type:   absolute  Node temperature (C):      10.00  Liq.sat.: .98790E+00
  Mineral: o2(g)      Mass action error =-.3881E+02  Tolerance= 0.1000E-04  Program execution was not aborted.  Check results!
  Time (seconds) = 0.2231E+03

  Warning: chemistry did not converge at node   a 3 (routine NEWTONEQ), Non-convergence type:   absolute  Node temperature (C):      10.00  Liq.sat.: .98790E+00
 

usually I have to terminate the program because the time step tends to be extremely small and the simulated result will not be reliable. 

 

I am wondering if there is any switch in TR input that could terminate the program once non convergence encounters? This is needed for my current situation because i am feeding 100+ simulation into a cluster and cancel them individually would be very time consuming. 

 

it is understood that i could terminate the program by adding several line in the source code but i would like to know the right way (TR way) to do it from inp file. 

 

Thank you. 

 

chenming

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