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Segmentation fault in xmrcc, works in 2019 release, broken in 2022

  • TiborGY
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2 years 7 months ago #1211 by TiborGY
Segmentation fault in xmrcc, works in 2019 release, broken in 2022 was created by TiborGY
Running the following input file with the recently released 2022 binary package results in a segmentation fault in xmrcc. The same input does not crash with the 2019 binary. Please find attached the output from the run with the 2022 release.
Code:
basis=aug-cc-pVDZ calc=CCSDT(Q) scftype=ROHF mult=2 charge=0 mem=32GB cctol=8 scftol=10 geom xyz  9      -1.0  H  -0.10149097 -1.03633805  0.36643410  H  -0.42881000 0.04070368  -1.01638384  H  -0.61347990 0.64796015  0.64989306  H  2.08460786 -0.20078248  -0.64982023  H  1.89993795 0.40647401  1.01645665  H  1.57261892 1.48351572  -0.36636130  C  0.00000000 0.00000000  0.00000000  C  1.47112796 0.44717768  0.00007281  F  -1.26562869 1.33676255  1.34075021
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  • kallay
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2 years 7 months ago #1212 by kallay
Replied by kallay on topic Segmentation fault in xmrcc, works in 2019 release, broken in 2022
Thank you for reporting this. It has been fixed. You will find the patches in the download area.
Best regards,
Mihaly Kallay

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