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changes.mady.by.user Unknown User (plgpiontek)

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changes.mady.by.user Unknown User (plgpiontek)

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Code Block
collapsetrue
#!/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

  • piernik - monitoring aplikacji "piernik"

    Code Block
    collapsetrue
    #!/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

Przykładowe zadanie

 

Dostęp do portalu wizualizacyjnego

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