<div dir="ltr"><div>would not FARMING work?<br></div><div><br></div><div>&GLOBAL<br> PROJECT farm1<br> PROGRAM FARMING<br> RUN_TYPE NONE<br>&END GLOBAL<br>&FARMING<br> &JOB<br> INPUT_FILE_NAME job1.inp<br> OUTPUT_FILE_NAME job1.out<br> &END JOB<br> &JOB<br>
INPUT_FILE_NAME job2.inp<br> OUTPUT_FILE_NAME job2.out
<br> &END JOB<br> &JOB<br>
INPUT_FILE_NAME job3.inp<br> OUTPUT_FILE_NAME job3.out
<br> &END JOB<br> &JOB<br>
INPUT_FILE_NAME job4.inp<br> OUTPUT_FILE_NAME job4.out
<br> &END JOB<br>&END FARMING</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sat, Apr 29, 2023 at 10:30 PM Lobna Saeed <<a href="mailto:lobna.saeed@gmail.com">lobna.saeed@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="auto">You have to create a script where you create a folder for each .inp file , job submission shell script and other files you want for the simulation. Then the script will loop over all the folders, submit the job and you know you have nothing to worry about👍🏻</div><div dir="auto">There are alot of tutorials on the cp2k website that will help you so much. </div><div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sat 29. Apr 2023 at 20:38, HUAN BI <<a href="mailto:hbi.trans.sci@gmail.com" target="_blank">hbi.trans.sci@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">I am using the computer in my laboratory for calculation now, I would like to ask, how to realize the automatic submission of multiple inp files in CP2K? This way I don't have to check them one by one.<br><div> </div><div>thank you so much</div>
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