A problem with Powell optimization

Anton Kudelin archm... at gmail.com
Wed Jun 20 14:38:37 UTC 2018

Hi all, 

I found that ACCURACY>=0.25 causes the program error "Attempt to close the 
default output unit number 6" in tests ATOM/regtest-pseudo/{C_nlcc_3.inp, 
C-HF-q4.inp, O-PBE0-q6.inp}. This error in not critical for me, but I guess 
it should be reported. I use cp2k 6.1 compiled with gcc 8.1 and -O2 as the 
highest optimization level.

Best Regards,
Anton K.

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