Fix: several bugs exceeded the upper limit of int when calculating large systems - Githubissues

abacusmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

GNU Lesser General Public License v3.0

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Fix: several bugs exceeded the upper limit of int when calculating large systems #294

Closed PeizeLin closed 9 months ago

PeizeLin commented 9 months ago

Local_Orbital_Charge::allocate_gamma()
HamiltLCAO::HamiltLCAO()
ELPA_Solver::allocate_work()
ELPA_Solver::decomposeRightMatrix()
ELPA_Solver::verify()
Psi::resize()
Psi::size()

As shown in issue #3219, large systems with few processes exceed the upper limit of int. There are still bugs unfixed in codes, such as class Parallel_Orbitals.

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