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Fix/segfault hamiltonian get hr #469
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JeromeCCP9
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Feb 16, 2024
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Fix/segfault hamiltonian get hr #469
JeromeCCP9
merged 6 commits into
wannier-developers:develop
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mikibonacci:fix/segfault-hamiltonian_get_hr
Feb 16, 2024
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You also have to deallocate the variables
JeromeCCP9
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i.e., after the variable declaration. This is needed to avoid allocation on stack if the intel compiler is used, causing segmentation fault for large systems. see issue wannier-developers#439.
…used in the hamiltonian.F90 file. Basically the eigval_opt, utmp variable are allocated only if have_disentangle is true.
in hamiltonian.F90
…sym.F90), the following variables: umatnew, ZU, deltaU, carr. This is in direction of issue wannier-developers#439.
- eigval2, eigval_opt, utmp in hamiltonian_get_hr - umatnew, ZU, deltaU, carr in sitesym_dis_extract_symmetry also, I moved the eigval2 allocation after the *if (ham_logical%have_ham_k) go to 100* line, because if we go to 100, we do not need the eigval2 variale
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JeromeCCP9
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February 16, 2024 12:05
necessary deallocations have been made
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This fixes #439.