Question about fix ave/time and the file output

To the mailing list:

I am running a simulation in which I utilize the function: fix ave/time

One of the options under fix ave/time is the file argument in which I specify the file that I would like the results of my simulation to be written out to.

I like this feature. I have a question about part of its functionality. I see that multiple lines can be written if I so choose for a given run. However, I would like to do something a little different than what I feel is the norm.

I have a simulation that is starting off at 2500K. I would like to cool down by 100K, equilibrate for a while, then get data for a while. When I am getting the data, this is where I use the fix ave/time command. However, next I would like to cool down by another 100K and repeat process.

My question is this:

Can I store the next fix ave/time data set to the same file as before? I tried doing this and it simply overwrites the previous file instead of adding a new line of data.

It is important to note that I must turn the fix ave/time off while I am cooling down and equilibrating because this is data that I do not care about. If I did not have to turn it off, it would not be a problem. I am not sure how to turn it off, and return it on and have it add new lines instead of creating a new file.

Otherwise, I end up having 20 different files which means I then must open up each file and get the data. While this effort is not overly demanding, it would be nice for future use to know of a method to accomplishes what I am trying to accomplish.

Thank you for those who take the time to read this,

Jackson

Someone could add an “append” option to fix ave/time, though
there is the Q of what to do with the header lines.

But you could also just “cat” the 20 files together into 1 big
file as a post-processing step. Would be similar to what
an “append” option would provide.

Steve

Or you can do something like this, if you do not wish to post-process.

fix ave/time … file FILE1
shell mv FILE1 FILE
unfix

fix ave/time … file FILE1
shell cat FILE FILE1 > FILE2
shell mv FILE2 FILE
unfix

fix ave/time … file FILE1
shell cat FILE FILE1 > FILE2
shell mv FILE2 FILE
unfix

Then at the end you will have only one FILE that contains all outputs.

Maybe there is a smarter and cleaner way.

Ray