Dear all;
There is a terrible trouble when I post-processing my dump file with the rerun and fix vector commonds in a new input script to commpute diffusion coefficient via compute VACF.
The partial input script as follow:
…
timestep 0.25
…
compute vacf carbon vacf
fix vacf carbon vector 200 c_vacf[4]
variable diff equal dt*trap（f_vacf)
…
rerun dump.lammpstrj first 200 every 200 last 10000 dump x y z vx vy vz format native
Once input was excuted,then a error——cannot reset timestep with a time_dependent fix defined——came out.I didn’t reset timestep,it is always “timestep 0.25” whatever it in my dump file or in my post-processing input.when dumping my “dump.file”,Nevery is 200,so I continue using 200 in fix vector. The “fix vector” is the only fix used in input.I’m trying everying i can,such as I change Nevery 200 of fix vector to 1 and check the lammps/mailing lis for related theme,but all what I do is useless. But I found that when I exchange “rerun” for “run” command,everying is ok.I don’t know how it happens,is there some bug for “fix vector” command or some trouble in my post-processing input ? Can someone give me some advice or offer me a similarity input which can correctly “rerun” ? Expect your response !
PS: The version used is Aug2015,the latest.
Best
regards !
Louis-Kuan