Comments (2)
It seems that the openmp compiler flag is not properly linked in CMakeLists.txt
. I will look into it.
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#389 caic99 has fixed this problem.
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Related Issues (20)
- Bug: `bessel_nao_rcut` cannot work as expected since ABACUS 3.7.1 HOT 1
- Bug: implicit type conversion happens when calculating total number of electrons of system
- Improper indentation of braces added by pre-commit bot HOT 4
- Bug: ZeroDivisionError occurs in timer in some unittests
- Order of INPUT should be rearranged.
- test: daily pw test failed at 20240725 HOT 5
- Bug: bugs in DFTU+SOC force/stress calculations
- Feature: need a feature to read charge density and rotate easy-axis for SOC nscf calcualtions
- Code Quality: improve numerical stability of `base_mixing` class HOT 1
- Need to support outputting partial charge densities for different k-points and spins separately when using PW basis set
- control the output frequency of out_pot and out_chg HOT 1
- Unconverged scf of Ti surface slab structures
- Problems about `out_mat_dh` and `Gint::cpu_dvlocal_interface`
- "index != GlobalC::ucell.natomwfc" error in init_wfc atomic
- !! CONVERGENCE HAS NOT BEEN ACHIEVED !! HOT 16
- Using lambda expressions to make the code logic clearer HOT 1
- auto enable GPU calculations
- DCU force is incorrect
- TDDFT restart: `efield_*.dat` file incorrectly appended when calculation restart HOT 1
- Should OpenMP be added?
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