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fix valgrind issues

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This commit is contained in:
Steve Plimpton
2022-12-15 08:48:27 -07:00
parent 2446a7855e
commit 6b2b3765c2
3 changed files with 15 additions and 4 deletions
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2
src/compute_property_grid.cpp
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@ -273,7 +273,7 @@ void ComputePropertyGrid::deallocate_grid()
delete grid2d; delete grid2d;
delete grid3d; delete grid3d;
memory->destroy2d_offset(vec2d, nylo_out, nxlo_out); memory->destroy2d_offset(vec2d, nylo_out, nxlo_out);
memory->destroy2d_offset(array2d, nylo_out, nxlo_out); memory->destroy3d_offset_last(array2d, nylo_out, nxlo_out);
memory->destroy3d_offset(vec3d, nzlo_out, nylo_out, nxlo_out); memory->destroy3d_offset(vec3d, nzlo_out, nylo_out, nxlo_out);
memory->destroy4d_offset_last(array3d, nzlo_out, nylo_out, nxlo_out); memory->destroy4d_offset_last(array3d, nzlo_out, nylo_out, nxlo_out);
} }

3
src/dump_image.cpp
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@ -466,6 +466,9 @@ DumpImage::~DumpImage()
memory->destroy(chooseghost); memory->destroy(chooseghost);
memory->destroy(bufcopy); memory->destroy(bufcopy);
memory->destroy(gbuf); memory->destroy(gbuf);
delete [] id_grid_compute;
delete [] id_grid_fix;
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */

14
src/fix_ave_grid.cpp
View File

@ -330,7 +330,7 @@ FixAveGrid::FixAveGrid(LAMMPS *lmp, int narg, char **arg) :
grid_sample = allocate_one_grid(); grid_sample = allocate_one_grid();
grid_nfreq = allocate_one_grid(); grid_nfreq = allocate_one_grid();
if (aveflag == RUNNING || aveflag == WINDOW) grid_nfreq = allocate_one_grid(); if (aveflag == RUNNING || aveflag == WINDOW) grid_running = allocate_one_grid();
if (aveflag == WINDOW) { if (aveflag == WINDOW) {
grid_window = new GridData*[nwindow]; grid_window = new GridData*[nwindow];
for (int i = 0; i < nwindow; i++) for (int i = 0; i < nwindow; i++)
@ -2045,13 +2045,21 @@ void FixAveGrid::reset_grid()
grid_window_previous[i] = clone_one_grid(grid_window[i]); grid_window_previous[i] = clone_one_grid(grid_window[i]);
} }
delete grid_sample;
delete grid_nfreq;
if (aveflag == RUNNING || aveflag == WINDOW) delete grid_running;
if (aveflag == WINDOW) {
for (int i = 0; i < nwindow; i++)
delete grid_window;
}
// allocate grid instance and grid data for new decomposition // allocate grid instance and grid data for new decomposition
allocate_grid(); allocate_grid();
grid_sample = allocate_one_grid(); grid_sample = allocate_one_grid();
grid_nfreq = allocate_one_grid(); grid_nfreq = allocate_one_grid();
if (aveflag == RUNNING || aveflag == WINDOW) grid_nfreq = allocate_one_grid(); if (aveflag == RUNNING || aveflag == WINDOW) grid_running = allocate_one_grid();
if (aveflag == WINDOW) { if (aveflag == WINDOW) {
grid_window = new GridData*[nwindow]; grid_window = new GridData*[nwindow];
for (int i = 0; i < nwindow; i++) for (int i = 0; i < nwindow; i++)
@ -2091,7 +2099,7 @@ void FixAveGrid::reset_grid()
if (dimension == 2) delete grid2d_previous; if (dimension == 2) delete grid2d_previous;
else delete grid3d_previous; else delete grid3d_previous;
deallocate_one_grid(grid_sample_previous,nxlo_out_previous,nylo_out_previous,nzlo_out_previous); deallocate_one_grid(grid_sample_previous,nxlo_out_previous,nylo_out_previous,nzlo_out_previous);
deallocate_one_grid(grid_nfreq_previous,nxlo_out_previous,nylo_out_previous,nzlo_out_previous); deallocate_one_grid(grid_nfreq_previous,nxlo_out_previous,nylo_out_previous,nzlo_out_previous);
if (aveflag == RUNNING || aveflag == WINDOW) if (aveflag == RUNNING || aveflag == WINDOW)