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regression in B3LYP with rc30/rc31

Daniil Bratashov
dn2010@gmail.com


Seems that recent code contain some regression in  calculation:
7.1.G:
GLOBAL CPU TIME ELAPSED      =      5725.8 SECONDS (    95.4 MIN)
NODE 0 WALL CLOCK TIME       =      1437.7 SECONDS (    24.0 MIN)
JOB CPU UTILIZATION:   TOTAL =    398.25°PER NODE AVERAGE =     99.56SCBR>8.0rc28:
GLOBAL CPU TIME ELAPSED      =      6678.4 SECONDS (   111.3 MIN)
NODE 0 WALL CLOCK TIME       =      1670.7 SECONDS (    27.8 MIN)
8.0rc31:
GLOBAL CPU TIME ELAPSED      =     15369.3 SECONDS (   256.2 MIN)
NODE 0 WALL CLOCK TIME       =      3854.4 SECONDS (    64.2 MIN)

input file in attachment

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[ lemon-acid.inp ] input file


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