Bug "double free or corruption" happens with OpenMP

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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Bug "double free or corruption" happens with OpenMP #155

Closed PeizeLin closed 1 year ago

PeizeLin commented 2 years ago

Describe the Bug

In this case, bug "double free or corruption" can be reproduced. The bug may be in Gint_Gamma::gamma_vlocal();

To Reproduce

When running in some of the nodes with OMP_NUM_THREADS >= 24, this bug may happen. mpirun -n 1 -env OMP_NUM_THREADS=24 ABACUS.mpi Running in other nodes works successfully.

Environment

OS: CentOS Linux release 7.4.1708
Compiler: mpiicpc 19.0.3.199

test case

Zn3.zip

mohanchen commented 1 year ago

For further discussions, we will move to https://github.com/deepmodeling/abacus-develop