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I have been trying to run some larger ground state energy calculations (transition metal organometallics) and I am getting the message I looked at the debugging hints and there is something mentioned for the "Linear" condition, though it seems to be connected to molecule point groups (which I am not using in my calculations). I have tried increasing both I have 202GB on the node and when I use python's Are there other ways to increase the memory limits imposed by Block2 besides |
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Thanks for reporting the problem. If you look at the API documentation, for
Note that In another section in the documentation you can find that:
If you have 202 GB (= 202 * 1024 * 1024 * 1024 bytes) in the node, you may set |
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Thanks for reporting the problem.
If you look at the API documentation, for
stack_mem
it says:Note that
1073741824 = 1024 * 1024 * 1024
.In another section in the documentation you can find that:
I…