vl_in_h 0 causes segmentation fault: address not mapped error for basis_type lcao calculation #3379
Description
Describe the bug
For any examples (I choose examples/scf/lcao_Si2):
INPUT_PARAMETERS
#Parameters (General)
pseudo_dir ../../../tests/PP_ORB
orbital_dir ../../../tests/PP_ORB
#Parameters (Accuracy)
ecutwfc 50
scf_nmax 100
scf_thr 1e-6
basis_type lcao
vl_in_h 0 # add this line
this will result in:
ABACUS v3.4.4
Atomic-orbital Based Ab-initio Computation at UStc
Website: http://abacus.ustc.edu.cn/
Documentation: https://abacus.deepmodeling.com/
Repository: https://github.com/abacusmodeling/abacus-develop
https://github.com/deepmodeling/abacus-develop
Commit: 36af8d37c (Fri Dec 8 07:13:28 2023 +0000)
Mon Dec 25 10:16:24 2023
MAKE THE DIR : OUT.ABACUS/
version = cpu
RUNNING WITH DEVICE : CPU / 13th Gen Intel(R) Core(TM) i7-13700KF
UNIFORM GRID DIM : 36 * 36 * 36
UNIFORM GRID DIM(BIG) : 9 * 9 * 9
DONE(0.0172034 SEC) : SETUP UNITCELL
DONE(0.0280508 SEC) : SYMMETRY
DONE(0.0613153 SEC) : INIT K-POINTS
---------------------------------------------------------
Self-consistent calculations for electrons
---------------------------------------------------------
SPIN KPOINTS PROCESSORS NBASE
1 8 1 26
---------------------------------------------------------
Use Systematically Improvable Atomic bases
---------------------------------------------------------
ELEMENT ORBITALS NBASE NATOM XC
Si 2s2p1d-8au 13 2
---------------------------------------------------------
Initial plane wave basis and FFT box
---------------------------------------------------------
DONE(0.0661857 SEC) : INIT PLANEWAVE
-------------------------------------------
SELF-CONSISTENT :
-------------------------------------------
START CHARGE : atomic
DONE(0.162516 SEC) : INIT SCF
ITER ETOT(eV) EDIFF(eV) DRHO TIME(s)
[legion:1174402] *** Process received signal ***
[legion:1174402] Signal: Segmentation fault (11)
[legion:1174402] Signal code: Address not mapped (1)
[legion:1174402] Failing at address: (nil)
Segmentation fault
@QuantumMisaka helped check version-dependence, it is found this bug emerges after release of ABACUS 3.3.3
Expected behavior
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To Reproduce
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Environment
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Additional Context
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