[lammps-users] ave/time "ave running" and "ave one"

Hi, lammps-users,

I am using lammps-16Mar18 to average a compute like follow,

compute {n}vxave ch4 reduce/region free ave vx fix {n}131 methane ave/time 10 100 1000 c_{n}vxave mode scalar ave running start {Nstart} file vx-ave-5nm-{deltaP}-{n}.txt overwrite
#fix {n}131 methane ave/time 10 100 1000 c_{n}vxave mode scalar ave one start {Nstart} file vx-ave-5nm-{deltaP}-${n}.txt overwrite

I found that the command “fix {n}131 methane ave/time 10 100 1000 c_{n}vxave mode scalar ave one start {Nstart} file vx-ave-5nm-{deltaP}-${n}.txt overwrite” will trigger an error “ERROR: Illegal fix ave/time command (…/fix_ave_time.cpp:143)”, while the command “fix ave/time … ave running” can run correctly. So, how to correct the command fix ave/time … ave one?

Best regards

Dongbo Wang

Hi, lammps-users,

I am using lammps-16Mar18 to average a compute like follow,

compute {n}vxave ch4 reduce/region free ave vx fix {n}131 methane ave/time 10 100 1000 c_{n}vxave mode scalar ave running start {Nstart} file vx-ave-5nm-{deltaP}-{n}.txt overwrite
#fix {n}131 methane ave/time 10 100 1000 c_{n}vxave mode scalar ave one start {Nstart} file vx-ave-5nm-{deltaP}-${n}.txt overwrite

I found that the command “fix {n}131 methane ave/time 10 100 1000 c_{n}vxave mode scalar ave one start {Nstart} file vx-ave-5nm-{deltaP}-${n}.txt overwrite” will trigger an error “ERROR: Illegal fix ave/time command (…/fix_ave_time.cpp:143)”, while the command “fix ave/time … ave running” can run correctly. So, how to correct the command fix ave/time … ave one?

from the fix ave/time documentation:

The overwrite keyword will continuously overwrite the output file
with the latest output, so that it only contains one timestep worth of
output. This option can only be used with the ave running setting.

axel.