# [lammps-users] run untile temerature converges

dear lammps users

how can run a simulation until a parameter (for example temperature) with a threshold, converges?
thanks
omid.

dear lammps users

how can run a simulation until a parameter (for example temperature) with a threshold, converges?
thanks
omid.

See the fix halt command.

Steve

Thanks!

Dear all,

Recently we try to simulate a rapid solidification of FCC aluminium alloy in a melt pool using fix langevin. In our code, units metal is used. x is the laser scan direction, y is the melt depth direction, and z is simplified to be a certain size in our quasi 2D simulations. My questions are: 1) What is the minimum size in the z direction and how to determine it? 2) In the calculation, how much timestep is generally set appropriately?
We fixed the size of x and y to about 100nm, and the z direction from 5nm to 60nm, the time is changed from 0.001ps to 0.01ps, and we found that the simulation results are very sensitive to them.
Any suggestions are very appreciated.

Best regards,
John WG

Dear all,

Sorry, there are some input mistakes in my previous description. In our simulations , the size of z direction is from 0.5 nm to 6 nm, not 5 nm to 60 nm.

Recently we try to simulate a rapid solidification of FCC aluminium alloy in a melt pool using fix langevin. In our code, units metal is used. x is the laser scan direction, y is the melt depth direction, and z is simplified to be a certain size in our quasi 2D simulations. My questions are: 1) What is the minimum size in the z direction and how to determine it? 2) In the calculation, how much timestep is generally set appropriately?
We fixed the size of x and y to about 100nm, and the z direction from 0.5nm to 6nm, the time is changed from 0.001ps to 0.01ps, and we found that the simulation results are very sensitive to them.
Any suggestions are very appreciated.

Thanks.