How to use simple commands to exit vi compiler after using yambo - i in shell script

[Quxiao]

Dear amolina：
I try to write a shell script to automatically submit yambo calculations and run them on my cluster.Some sentences are like this：

Code: Select all

yambo -i

Code: Select all

yambo

Code: Select all

yambo -r -x -p p -g n 

which is writen in the auto.sh.
However,when I run the auto.sh ,I will enter the vi compilation environment(after yambo -i or then after yambo -r -x -p p -g n),So what can I do to save and exit vi so that I can continue with the next command：yambo -r -x -p p -g n?
That puzzle me ,please give me some help
Best wishes
Quxiao

[Daniele Varsano]

Dear Quixiao,

Please note, this is neither a yambo nor a yambo-py related question.
Anyway, my suggestion here is to prepare template input files beforehand, and next handle them at your wish in the bash script.

Best,
Daniele

[rreho]

Dear Quixiao,
Daniele is right, this is not a yambo-py related question. However, my suggestion is to use yambo-py to create input files with a script. You can use the class PwIn and follow the documentation available on the Yambo Wiki.

Following your question using shell script, have you tried adding -Q at the end of the command? It works for me with Yambo 5.1.

``` yambo -i -Q ```
or

``` yambo -r -x -p p -g n -Q ```

In this way, you will create input files with flags set to their default values. I recommend editing those.

Best,
Riccardo

[Quxiao]

Dear all:
Thanks a lot for your help! -Q is very useful for my calculation.
Best wishes!
Quxiao