Hello,
I am writing this post because I encountered an issue while using the fix ave/time command. Below is a portion of my script.
I am attempting to reduce noise in the output results by increasing the Nrepeat and Nfreq values. However, when the Nrepeat value is set to anything other than 1, no results are output. I would appreciate any suggestions on how to resolve this issue. Please let me know if additional information is needed.
Thank you.
Yes, this is definitely needed. And the forum guidelines explain it.
In fact, your post is a good example for how to not write posts in this forum. Some serious issues are:
- Instead of posting your input script as text, you are posting a screenshop image. This is very bad, since if somebody wants to reproduce it, the person has to painstakingly retype everything (and not make any typos or accidentally correct your possible mistake). Before you can get help, you frustrate and irritate any potential candidates. Not a smart move.
- You only provide a part of your input. What if the problem is elsewhere? Also, even if this was text and not an image, nobody can reproduce what you see and thus it is very hard to help you.
- You do not explain which LAMMPS version you are using, what platform you are running on, what your command line is. All of that can matter.
- You are describing the symptoms, but are not explaining, how this is conflicting with the documentation. Your description sounds a bit like you just tried out some values without understanding the underlying algorithms (or making an effort to do so) and also you seem to neglect the implications and restrictions that apply when using “rerun” instead of "run. For example, you could check if the same issue happens with “run” and report the results. Generally, the more you narrow down the problem yourself the less effort it will be to explain any resolution.
- You are using rerun, so a suitable trajectory file is needed, plus any other files required to reproduce what is causing you trouble.
- You should reduce your input deck to the absolute minimum required to reproduce the issue. For example, in your input fragment, there are two compute rdf commands and two fix ave/time commands. Only one of each would be required to reproduce the issue.
For more details, please carefully review and follow the forum guidelines. Please always keep in mind, that you want something from people that are volunteering their time, so you have either have an interesting and stimulating problem, or you have to make it as easy as possible to help you. The more effort people need to invest, the smaller the chance to get meaningful assistance.
Thank you for your reply. I’ll look at the guidelines and rewrite it as you advised. Then, can you delete this post?
