Hello Team, I'm building a script and due to some strange reason, error message suggests me to use update_on_run_end yes flag in compute(s). For example,
variable vY atom mass*vy*vy
compute vYSum all reduce update_on_run_end yes sum v_vY
Let us say I've to simulate 1000000 time-steps, I can do it either in one go (Method: 1) or break 1000000 into two parts in which second part is started using read_restart from first part (Method: 2). My observation is that, everything else remaining absolutely same, the results are very very different from Method 1 and Method 2.
Could you point me to what is going wrong here?
Can this be corrected if I use read_data instead of read_restart?
Thank you,
Jagan Mohan.