16:11:02drmeisterThen square that and look at the energyNonbond.h EnergyNonbond C++ structure, estimate its size and multiply that size by the number-of-atoms^2
16:11:09drmeisterDoes that get us anywhere near 37GB?
16:15:27drmeisterThen add print statements to print how many NonbondEnergy terms you are creating and print once the sizeof(NonbondEnergy) and do some arithmetic to figure out what is going on.
16:15:50drmeisterIf we had MPS working then I could use (ROOM) to walk memory and tell you how much memory each data type is taking. #$%*#%*
18:39:16heisigBike: By the way, my load time value hoisting code is now in Cleavir. Just in case you need it someday.
18:39:36Bikenoted. maybe i'll take a closer looka t it.
18:41:56heisigNo hurry. I just mentioned it to prevent duplicate work.