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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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14
src/fix_ave_grid.cpp
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@ -330,7 +330,7 @@ FixAveGrid::FixAveGrid(LAMMPS *lmp, int narg, char **arg) :
grid_sample = 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) {
grid_window = new GridData*[nwindow];
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]);
}
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();
grid_sample = 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) {
grid_window = new GridData*[nwindow];
for (int i = 0; i < nwindow; i++)
@ -2091,7 +2099,7 @@ void FixAveGrid::reset_grid()
if (dimension == 2) delete grid2d_previous;
else delete grid3d_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);
if (aveflag == RUNNING || aveflag == WINDOW)