Difference between revisions of "Tinkergpu:Automation"

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= Automation =
= Automation =


== Script_Title ==
== Script_Title ==
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== lsub.py ==
'''Author:''' Chengwen Liu
'''Description:''' Automatically detect and submit a bunch of QM jobs to satisfied CPU nodes.
'''Line of code''': 142
Link to script: [https://github.com/leucinw/ComputTools/blob/master/src/lsub.py https://github.com/leucinw/ComputTools/blob/master/src/lsub.py]
'''An example: '''
<div style="background:#eeeeee;border:1px solid #cccccc;padding:5px 10px;"><code>python lsub.py -i *.psi4 -x node144 -d 100 -m 100 -t 30&nbsp;</code></div>
which will submit all the .psi4 files in the current folder, using the nodes with 100GB disk and 100GB memory, checking every 30 seconds, excluding node144.&nbsp;
'''Arguments:'''
<div style="background:#eeeeee;border:1px solid #cccccc;padding:5px 10px;">-i INPUT [INPUT ...]&nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; Input files: with extension of .COM/.PSI4/.QCHEM<br/> -n NODES [NODES ...]&nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Submit jobs on these nodes ONLY. Default: []<br/> -x XNODES [XNODES ...]&nbsp; &nbsp; Submit jobs NOT on these nodes. Default: []<br/> -d DISK&nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Disk of requested nodes. Default: 200 (GB)<br/> -m MEMORY &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; Memory lower bound. Default: 30 (GB)<br/> -M MAXMEM &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; Memory upper bound. Default: 999 (GB)<br/> -t TCHECK &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; Time interval to check node availability (in Second)</div>

Revision as of 18:10, 8 February 2021

Automation

Script_Title

Author: Name

Description: Write a short description of what the script is for/what it does

Paste script here

or paste link here 

 

lsub.py

Author: Chengwen Liu

Description: Automatically detect and submit a bunch of QM jobs to satisfied CPU nodes.

Line of code: 142

Link to script: https://github.com/leucinw/ComputTools/blob/master/src/lsub.py

An example: 

python lsub.py -i *.psi4 -x node144 -d 100 -m 100 -t 30 

which will submit all the .psi4 files in the current folder, using the nodes with 100GB disk and 100GB memory, checking every 30 seconds, excluding node144. 

Arguments:

-i INPUT [INPUT ...]              Input files: with extension of .COM/.PSI4/.QCHEM
-n NODES [NODES ...]         Submit jobs on these nodes ONLY. Default: []
-x XNODES [XNODES ...]    Submit jobs NOT on these nodes. Default: []
-d DISK                                 Disk of requested nodes. Default: 200 (GB)
-m MEMORY             Memory lower bound. Default: 30 (GB)
-M MAXMEM             Memory upper bound. Default: 999 (GB)
-t TCHECK             Time interval to check node availability (in Second)