I am running pyscf with a loop over many molecules. For each molecule, I calculate the HF, CASCI, and electron integrals. I find that code crashes after certain number of molecules in the loop, with "out of memory" error message. I find that I have to manually delete all electron integrals data and force collect garbage for each run in the loop.

for imol in molecules:
    Run HF
    Run CASCI
    Calculate electron integrals
    save data

Now, I have to do this to keep it running

for imol in molecules:
    Run HF
    Run CASCI
    Calculate electron integrals
    save data
    del large_data
    gc.collect()

I am using the latest release