Tried. It works. Thanks very much, Dr. Minho Lee.
Minho Lee 于2018年8月28日周二 上午5:18写道：
> Dear Hao Chen,
>
> I think linux command “grep” and “tail" may helpful for you.
>
> For example, if you have several job directories and each direcotires have
> standard output file named “job.out”,
>
> You
Dear Hao Chen,
I think linux command “grep” and “tail" may helpful for you.
For example, if you have several job directories and each direcotires have
standard output file named “job.out”,
You can get final energy of one job with following command
grep “total energy” jobdir/job.out|grep
Dear Dr. Stephen Weitzner
Thanks very much. Would you like to let me know which example I should look
at? Thanks again.
Cheers!
Hao
Weitzner, Stephen Eric 于2018年8月27日周一 下午8:22写道：
> Hi Hao,
>
>
>
> If you take a look at one of the PWscf examples, specifically one of the
> “run_example” shell
Hi Hao,
If you take a look at one of the PWscf examples, specifically one of the
“run_example” shell scripts, you can find an example for how to do what you are
asking. The book Stefano suggested will teach you how to write such scripts.
There are also free alternatives online that are just a
Thanks. I mean is there some command like in LAMMPS that can carry out
simulations multitimes with just changing the parameters and output to the
same file?
Stefano Baroni 于2018年8月27日周一 下午7:08写道：
>
> https://www.dummies.com/DummiesTitle/UNIX-For-Dummies-5th-Edition.productCd-0764541471.html
>
>
https://www.dummies.com/DummiesTitle/UNIX-For-Dummies-5th-Edition.productCd-0764541471.html
___
Stefano Baroni, Trieste -- http://stefano.baroni.me
> On 28 Aug 2018, at 02:01, Hao Chen wrote:
>
> Dear All
>
> I am a beginner of quantum espresso. I tried to run single simulations
> and
