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avoid small memory leak with USER-REAXC + USER-OMP, spotted by GCC's address sanitizer

This commit is contained in:
Axel Kohlmeyer 2017-07-12 17:27:49 -04:00
parent 69d97fa60c
commit 734729b0a4
1 changed files with 5 additions and 8 deletions
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13
src/USER-REAXC/reaxc_allocate.cpp
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@ -196,11 +196,10 @@ void DeAllocate_Workspace( control_params *control, storage *workspace )
/* reductions */ /* reductions */
#ifdef LMP_USER_OMP #ifdef LMP_USER_OMP
if(workspace->CdDeltaReduction) sfree( workspace->CdDeltaReduction, "cddelta_reduce" ); if (workspace->CdDeltaReduction) sfree( workspace->CdDeltaReduction, "cddelta_reduce" );
if(workspace->forceReduction) sfree( workspace->forceReduction, "f_reduce" ); if (workspace->forceReduction) sfree( workspace->forceReduction, "f_reduce" );
if(workspace->valence_angle_atom_myoffset) sfree( workspace->valence_angle_atom_myoffset, "valence_angle_atom_myoffset"); if (workspace->valence_angle_atom_myoffset) sfree( workspace->valence_angle_atom_myoffset, "valence_angle_atom_myoffset");
if (workspace->my_ext_pressReduction) sfree( workspace->my_ext_pressReduction, "ext_press_reduce");
if (control->virial && workspace->my_ext_pressReduction) sfree( workspace->my_ext_pressReduction, "ext_press_reduce");
#endif #endif
} }
@ -307,9 +306,7 @@ int Allocate_Workspace( reax_system *system, control_params *control,
"forceReduction", comm); "forceReduction", comm);
workspace->valence_angle_atom_myoffset = (int *) scalloc(sizeof(int), total_cap, "valence_angle_atom_myoffset", comm); workspace->valence_angle_atom_myoffset = (int *) scalloc(sizeof(int), total_cap, "valence_angle_atom_myoffset", comm);
workspace->my_ext_pressReduction = (rvec *) calloc(sizeof(rvec), control->nthreads);
if (control->virial)
workspace->my_ext_pressReduction = (rvec *) calloc(sizeof(rvec), control->nthreads);
#endif #endif
return SUCCESS; return SUCCESS;