Fix Bus Error with LLVMFlang

Inside of dftd3, there is no check that mol%lattice is not allocated. Therefore, compiler can do some extra optimization which may lead to strange behaviour.
dftd3 · Mar 3, 2025 · f5147af · f5147af
1 parent f183094
commit f5147af
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/test/unit/test_dftd3.f90 b/test/unit/test_dftd3.f90
@@ -928,6 +928,7 @@ subroutine test_pbed3bj_actinides(error)
       & 2.01082807362334_wp, 1.34838807211157_wp,-4.70482633508447_wp],&
       & [3, 17])
    mol%periodic = [.false.]
+   allocate(mol%lattice(0,0))
 
    call new_rational_damping(param, inp)
    call test_dftd3_gen(error, mol, param, -1.4131143363689097E-001_wp)