[Wien] IEEE_UNDERFLOW_FLAG IEEE_DENORMAL

[Pavel Ondračka]

---------- Původní e-mail ----------
Od: Laurence Marks <L-marks at northwestern.edu>
Komu: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
Datum: 9. 5. 2018 21:18:20
Předmět: Re: [Wien] IEEE_UNDERFLOW_FLAG IEEE_DENORMAL 
"
You are right, this is a bug (potentially severe). In my local version I 
replaced somm with a more standard integration as somm interpolates to the 
origin (which is not right).

 
"
Thanks for looking into this, hopefully the fix is not too hard. BTW if I 
provide similar analysis also for the other occurrences of floating point 
exceptions and/or valgrind uninitialized read/write errors, would you be 
willing to check whether those are harmless or real problems as well?




Best regards

Pavel

"

"
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