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#!/bin/bash echo 'qcg.monitor.scheme=gaussianext' echo "#energy#" grep "SCF Done:" _stdouterr | awk '{print $5}' echo "#force#" grep "^ Maximum Force" _stdouterr | awk '{print $3}' echo "#maxdispl#" grep "^ Maximum Displacement" _stdouterr | awk '{print $3}' echo "#rmsdispl#" grep "^ RMS Displacement" _stdouterr | awk '{print $3}' |
piernik - monitoring aplikacji "piernik"
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#!/bin/sh
echo 'qcg.monitor.scheme=piernik'
tac sedov_tst_000.log | grep -e "\s*@\s*0:\s*nstep\s*=" -m 1 || echo "-"
cat sedov_tst_000.tsl |
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