QuantumATK > General Questions and Answers
What does 'ATKError: St9bad_alloc' mean, developer?
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hhspace:
When I calculate a two-probe system, which has 313 atoms in the central region, the message 'ATKError: St9bad_alloc' always obtained after the calculation of the electrode has converged. What does 'ATKError: St9bad_alloc' really means?
Nordland:
Wow! Getting this error already on 313 atoms?
The error means you do not have enough memory to perform this calculation since it has run out of memory,
however I am puzzled that you get this error on 313 atoms. I can do 1000 atoms on my laptop with 2GB of memory.
Possible solutions:
* Check that you are not running alot of other programs that takes up your memory
* Check the memory heavy parameters as the mesh-cutoff and the basis set.
* If your electrode is very large, then the equivalent bulk calculation can be quite big (start guess for NEGF) - try to disable it
hhspace:
Thank you for your reply, and I will follow your advice and try some possible changes! And thanks a lot again!
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