fort.18 and fort.19 file size

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1 year 3 months ago #494 by pradeep
I am running few test calculations at MRCCSDT level. I realized that, with each amplitude iteration, size of fort.18 and fort.19 file increase. Is there anyway to circumvent this problem? I also noted down, to restart the job, perhaps, I do not need these files. Even I delete these files in junk folder and restart the job , job is restarting. May somebody can enlighten me about utilities of these files (fort.18 and fort.19)

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1 year 3 months ago #495 by kallay
The DIIS parameter and error vectors are stored in these files. In each iteration a vector of length corresponding to the number of cluster amplitudes is saved to both files. Unfortunately it cannot be avoided, but these files are not needed for restart.

Best regards,
Mihaly Kallay
The following user(s) said Thank You: pradeep

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