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Author Topic: Plish in gradient step?  (Read 28143 times)

avsfan92

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Plish in gradient step?
« on: February 04, 2026, 10:02:15 PM »
Hello,

During the optimization of a complex, the optimization crashed on step 72 with the error message fatal error in routine plisch.``. After using actual -r it seems to be working, but I was wondering what this error is and how to avoid it?

Thank you,
CO
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yannickf

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Re: Plish in gradient step?
« Reply #1 on: February 05, 2026, 04:05:42 PM »
Hello,

plisch and plumm are subroutines to delete/replace/write to the control file with the help of a scratch file. Apparently, replacing data in your control failed due to a missing scratch file or not being able to open one (no unit available). actual -r resets the control file and allows you to restart the calculation. This time getting a unit seemed to work properly.

Best,

Yannick
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avsfan92

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Re: Plish in gradient step?
« Reply #2 on: February 05, 2026, 04:22:05 PM »
Yannick,

Thank you, I appreciate your advice.

CO
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