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<p style="margin-top:0;margin-bottom:0">Hello </p>
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<p style="margin-top:0;margin-bottom:0">I have very small amount of experience using QE, so please excuse my beginner question. <span style="font-size: 12pt;">I'm about to start relaxation of big crystal structure, and I
</span><span style="font-size: 12pt;">wish to make my QE relaxation jobs ready for restart. Here are my questions: </span></p>
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<p style="margin-top:0;margin-bottom:0">1) According to "restarting" section from manual, (<a href="https://www.quantum-espresso.org/Doc/pw_user_guide/node20.html" class="OWAAutoLink" id="LPlnk514318" previewremoved="true">https://www.quantum-espresso.org/Doc/pw_user_guide/node20.html</a>)
it seems that QE does not creates the dedicated restart file, is this correct? </p>
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<div>2) If I set up "<span style="font-size: 12pt;">max_seconds</span><span style="font-size: 12pt;">" option as <span>604800 seconds (1 week), and request wall time to server 1 week, do my calculation jobs are ready to restart after 1 week? (1 week is just
example but our server cluster have maximum some walltime limitation, and I don't think any of my relaxation works will be finished within that time. ) Also, does this "max_seconds" option must be required to restart? </span></span></div>
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<div><span style="font-size: 12pt;"><span>3) When I execute QE in the submit script, I use something similar as: </span></span></div>
<div>mpirun pw.x < input.in > output.out</div>
<div>In this case, if the relaxation job is killed due to wall time limit (without setting max_seconds), can I just change the name of the output.out to prefix.EXIT, (of course I set up prefix in the input file) <span style="font-size: 12pt;">and then include
restart_mode = "restart" in the input file, then submit a job for restart? </span></div>
<div><span style="font-size: 12pt;">I have old files which are finished after reaching wall time limit without "max_seconds" option, and I'm curious if I can use those files to restart. </span></div>
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<div><span style="font-size: 12pt;">4) I also use <span>outdir option in the input file, does the outdir option should be the same when restart? </span></span></div>
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<div><span style="font-size: 12pt;">5) Are there any other things or useful hints that I need to consider when restart? </span></div>
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<div><span style="font-size: 12pt;">Thank you </span></div>
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