Init Struct Energy for Train Mode 1 and 2 #770
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This PR is for #763
There is no initialization for energy if
train_modeequals to 1 or 2.When I fix it, the
Total Lossis notnan.DIfferent Results (?
I use
-DDEBUGflag to compile and compare theloss.outfile from initialized and non initialized code. It shows that other columns are also different. Theloss.outfiles are below: (I have removed nep.restart file each time)loss.out.raw.txt
loss.out.fix.txt
One More Thing
There are many ways to solve this bug. I recommend that initialize it in struct definition. And if it's allowed, make sure all variables will be initialized. This work will not make the code slower but will make it more robust.