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programming style changes to reduce warnings from static code analysis

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This commit is contained in:
Axel Kohlmeyer
2022-12-20 06:33:28 -05:00
parent 0f23659523
commit aba0ead71f
4 changed files with 102 additions and 97 deletions
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32
src/dump_grid.cpp
View File

@ -189,7 +189,7 @@ void DumpGrid::init_style()
delete[] columns;
std::string combined;
int icol = 0;
for (auto item : utils::split_words(columns_default)) {
for (const auto &item : utils::split_words(columns_default)) {
if (combined.size()) combined += " ";
if (keyword_user[icol].size()) combined += keyword_user[icol];
else combined += item;
@ -506,12 +506,14 @@ int DumpGrid::count()
grid2d = (Grid2d *) compute[field2index[0]]->get_grid_by_index(field2grid[0]);
else if (field2source[0] == FIX)
grid2d = (Grid2d *) fix[field2index[0]]->get_grid_by_index(field2grid[0]);
else error->all(FLERR, "Unsupported grid data source type {}", field2source[0]);
grid2d->get_bounds_owned(nxlo_in,nxhi_in,nylo_in,nyhi_in);
} else {
if (field2source[0] == COMPUTE)
grid3d = (Grid3d *) compute[field2index[0]]->get_grid_by_index(field2grid[0]);
else if (field2source[0] == FIX)
grid3d = (Grid3d *) fix[field2index[0]]->get_grid_by_index(field2grid[0]);
else error->all(FLERR, "Unsupported grid data source type {}", field2source[0]);
grid3d->get_bounds_owned(nxlo_in,nxhi_in,nylo_in,nyhi_in,nzlo_in,nzhi_in);
}
@ -818,11 +820,10 @@ void DumpGrid::pack_grid2d(int n)
if (index == 0) {
double **vec2d;
if (field2source[n] == COMPUTE)
vec2d = (double **)
compute[field2index[n]]->get_griddata_by_index(field2data[n]);
vec2d = (double **) compute[field2index[n]]->get_griddata_by_index(field2data[n]);
else if (field2source[n] == FIX)
vec2d = (double **)
fix[field2index[n]]->get_griddata_by_index(field2data[n]);
vec2d = (double **) fix[field2index[n]]->get_griddata_by_index(field2data[n]);
else error->all(FLERR, "Unsupported grid data source type {}", field2source[n]);
for (int iy = nylo_in; iy <= nyhi_in; iy++)
for (int ix = nxlo_in; ix <= nxhi_in; ix++) {
buf[n] = vec2d[iy][ix];
@ -831,11 +832,10 @@ void DumpGrid::pack_grid2d(int n)
} else {
double ***array2d;
if (field2source[n] == COMPUTE)
array2d = (double ***)
compute[field2index[n]]->get_griddata_by_index(field2data[n]);
array2d = (double ***) compute[field2index[n]]->get_griddata_by_index(field2data[n]);
else if (field2source[n] == FIX)
array2d = (double ***)
fix[field2index[n]]->get_griddata_by_index(field2data[n]);
array2d = (double ***) fix[field2index[n]]->get_griddata_by_index(field2data[n]);
else error->all(FLERR, "Unsupported grid data source type {}", field2source[n]);
index--;
for (int iy = nylo_in; iy <= nyhi_in; iy++)
for (int ix = nxlo_in; ix <= nxhi_in; ix++) {
@ -854,11 +854,10 @@ void DumpGrid::pack_grid3d(int n)
if (index == 0) {
double ***vec3d;
if (field2source[n] == COMPUTE)
vec3d = (double ***)
compute[field2index[n]]->get_griddata_by_index(field2data[n]);
vec3d = (double ***) compute[field2index[n]]->get_griddata_by_index(field2data[n]);
else if (field2source[n] == FIX)
vec3d = (double ***)
fix[field2index[n]]->get_griddata_by_index(field2data[n]);
vec3d = (double ***) fix[field2index[n]]->get_griddata_by_index(field2data[n]);
else error->all(FLERR, "Unsupported grid data source type {}", field2source[n]);
for (int iz = nzlo_in; iz <= nzhi_in; iz++)
for (int iy = nylo_in; iy <= nyhi_in; iy++)
for (int ix = nxlo_in; ix <= nxhi_in; ix++) {
@ -868,11 +867,10 @@ void DumpGrid::pack_grid3d(int n)
} else {
double ****array3d;
if (field2source[n] == COMPUTE)
array3d = (double ****)
compute[field2index[n]]->get_griddata_by_index(field2data[n]);
array3d = (double ****) compute[field2index[n]]->get_griddata_by_index(field2data[n]);
else if (field2source[n] == FIX)
array3d = (double ****)
fix[field2index[n]]->get_griddata_by_index(field2data[n]);
array3d = (double ****) fix[field2index[n]]->get_griddata_by_index(field2data[n]);
else error->all(FLERR, "Unsupported grid data source type {}", field2source[n]);
index--;
for (int iz = nzlo_in; iz <= nzhi_in; iz++)
for (int iy = nylo_in; iy <= nyhi_in; iy++)

45
src/fix_ave_grid.cpp
View File

@ -45,13 +45,15 @@ static constexpr int OFFSET = 16384;
/* ---------------------------------------------------------------------- */
FixAveGrid::FixAveGrid(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg),
which(nullptr), argindex(nullptr), ids(nullptr),
value2index(nullptr), value2grid(nullptr), value2data(nullptr),
grid2d(nullptr), grid3d(nullptr),
grid_buf1(nullptr), grid_buf2(nullptr)
Fix(lmp, narg, arg), id_bias(nullptr), which(nullptr), argindex(nullptr), ids(nullptr),
value2index(nullptr), value2grid(nullptr), value2data(nullptr), grid2d(nullptr), grid3d(nullptr),
grid_buf1(nullptr), grid_buf2(nullptr), grid_output(nullptr), grid_sample(nullptr),
grid_nfreq(nullptr), grid_running(nullptr), grid_window(nullptr), grid2d_previous(nullptr),
grid3d_previous(nullptr), grid_sample_previous(nullptr), grid_nfreq_previous(nullptr),
grid_running_previous(nullptr), grid_window_previous(nullptr), bin(nullptr), skip(nullptr),
vresult(nullptr)
{
if (narg < 10) error->all(FLERR,"Illegal fix ave/grid command");
if (narg < 10) utils::missing_cmd_args(FLERR,"fix ave/grid", error);
pergrid_flag = 1;
nevery = utils::inumeric(FLERR,arg[3],false,lmp);
@ -258,7 +260,7 @@ FixAveGrid::FixAveGrid(LAMMPS *lmp, int narg, char **arg) :
dimension = domain->dimension;
if (nxgrid < 1 || nygrid < 1 || nzgrid < 1)
if ((nxgrid < 1) || (nygrid < 1) || (nzgrid < 1))
error->all(FLERR,"Invalid fix ave/grid grid size");
if (dimension == 2 && nzgrid != 1)
error->all(FLERR,"Fix ave/grid grid Nz must be 1 for 2d simulation");
@ -282,17 +284,13 @@ FixAveGrid::FixAveGrid(LAMMPS *lmp, int narg, char **arg) :
if (icompute < 0)
error->all(FLERR,"Compute ID for fix ave/grid does not exist");
if (modify->compute[icompute]->peratom_flag == 0)
error->all(FLERR,
"Fix ave/atom compute does not calculate per-atom values");
error->all(FLERR, "Fix ave/atom compute does not calculate per-atom values");
if (argindex[i] == 0 &&
modify->compute[icompute]->size_peratom_cols != 0)
error->all(FLERR,"Fix ave/atom compute does not "
"calculate a per-atom vector");
error->all(FLERR,"Fix ave/atom compute does not calculate a per-atom vector");
if (argindex[i] && modify->compute[icompute]->size_peratom_cols == 0)
error->all(FLERR,"Fix ave/atom compute does not "
"calculate a per-atom array");
if (argindex[i] &&
argindex[i] > modify->compute[icompute]->size_peratom_cols)
error->all(FLERR,"Fix ave/atom compute does not calculate a per-atom array");
if (argindex[i] && argindex[i] > modify->compute[icompute]->size_peratom_cols)
error->all(FLERR,"Fix ave/atom compute array is accessed out-of-range");
} else if (which[i] == ArgInfo::FIX) {
@ -302,16 +300,13 @@ FixAveGrid::FixAveGrid(LAMMPS *lmp, int narg, char **arg) :
if (modify->fix[ifix]->peratom_flag == 0)
error->all(FLERR,"Fix ave/atom fix does not calculate per-atom values");
if (argindex[i] == 0 && modify->fix[ifix]->size_peratom_cols != 0)
error->all(FLERR,
"Fix ave/atom fix does not calculate a per-atom vector");
error->all(FLERR, "Fix ave/atom fix does not calculate a per-atom vector");
if (argindex[i] && modify->fix[ifix]->size_peratom_cols == 0)
error->all(FLERR,
"Fix ave/atom fix does not calculate a per-atom array");
error->all(FLERR, "Fix ave/atom fix does not calculate a per-atom array");
if (argindex[i] && argindex[i] > modify->fix[ifix]->size_peratom_cols)
error->all(FLERR,"Fix ave/atom fix array is accessed out-of-range");
if (nevery % modify->fix[ifix]->peratom_freq)
error->all(FLERR,
"Fix for fix ave/atom not computed at compatible time");
error->all(FLERR, "Fix for fix ave/atom not computed at compatible time");
} else if (which[i] == ArgInfo::VARIABLE) {
int ivariable = input->variable->find(ids[i]);
@ -1798,7 +1793,7 @@ void FixAveGrid::pack_reverse_grid(int /*which*/, void *vbuf, int nlist, int *li
count = &grid_sample->count2d[nylo_out][nxlo_out];
if (nvalues == 1) data = &grid_sample->vec2d[nylo_out][nxlo_out];
else data = &grid_sample->array2d[nylo_out][nxlo_out][0];
} else if (dimension == 3) {
} else {
count = &grid_sample->count3d[nzlo_out][nylo_out][nxlo_out];
if (nvalues == 1) data = &grid_sample->vec3d[nzlo_out][nylo_out][nxlo_out];
else data = &grid_sample->array3d[nzlo_out][nylo_out][nxlo_out][0];
@ -1836,7 +1831,7 @@ void FixAveGrid::unpack_reverse_grid(int /*which*/, void *vbuf, int nlist, int *
count = &grid_sample->count2d[nylo_out][nxlo_out];
if (nvalues == 1) data = &grid_sample->vec2d[nylo_out][nxlo_out];
else data = &grid_sample->array2d[nylo_out][nxlo_out][0];
} else if (dimension == 3) {
} else {
count = &grid_sample->count3d[nzlo_out][nylo_out][nxlo_out];
if (nvalues == 1) data = &grid_sample->vec3d[nzlo_out][nylo_out][nxlo_out];
else data = &grid_sample->array3d[nzlo_out][nylo_out][nxlo_out][0];
@ -1921,7 +1916,7 @@ int FixAveGrid::pack_one_grid(GridData *grid, int index, double *buf)
count = &grid->count2d[nylo_out_previous][nxlo_out_previous];
if (nvalues == 1) data = &grid->vec2d[nylo_out_previous][nxlo_out_previous];
else data = &grid->array2d[nylo_out_previous][nxlo_out_previous][0];
} else if (dimension == 3) {
} else {
count = &grid->count3d[nzlo_out_previous][nylo_out_previous][nxlo_out_previous];
if (nvalues == 1) data = &grid->vec3d[nzlo_out_previous][nylo_out_previous][nxlo_out_previous];
else data = &grid->array3d[nzlo_out_previous][nylo_out_previous][nxlo_out_previous][0];
@ -1952,7 +1947,7 @@ int FixAveGrid::unpack_one_grid(double *buf, GridData *grid, int index)
count = &grid->count2d[nylo_out][nxlo_out];
if (nvalues == 1) data = &grid->vec2d[nylo_out][nxlo_out];
else data = &grid->array2d[nylo_out][nxlo_out][0];
} else if (dimension == 3) {
} else {
count = &grid->count3d[nzlo_out][nylo_out][nxlo_out];
if (nvalues == 1) data = &grid->vec3d[nzlo_out][nylo_out][nxlo_out];
else data = &grid->array3d[nzlo_out][nylo_out][nxlo_out][0];

55
src/grid2d.cpp
View File

@ -1,4 +1,3 @@
// clang-format off
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
@ -17,12 +16,12 @@
#include "comm.h"
#include "domain.h"
#include "error.h"
#include "irregular.h"
#include "pair.h"
#include "kspace.h"
#include "fix.h"
#include "irregular.h"
#include "kspace.h"
#include "math_extra.h"
#include "memory.h"
#include "pair.h"
using namespace LAMMPS_NS;
@ -47,7 +46,11 @@ static constexpr int OFFSET = 16384;
gnx,gny,gnz = global grid size
------------------------------------------------------------------------- */
Grid2d::Grid2d(LAMMPS *lmp, MPI_Comm gcomm, int gnx, int gny) : Pointers(lmp)
Grid2d::Grid2d(LAMMPS *lmp, MPI_Comm gcomm, int gnx, int gny) :
Pointers(lmp), swap(nullptr), requests(nullptr), srequest(nullptr), rrequest(nullptr),
sresponse(nullptr), rresponse(nullptr), send(nullptr), recv(nullptr), copy(nullptr),
send_remap(nullptr), recv_remap(nullptr), overlap_procs(nullptr), xsplit(nullptr),
ysplit(nullptr), zsplit(nullptr), grid2proc(nullptr), rcbinfo(nullptr), overlap_list(nullptr)
{
gridcomm = gcomm;
MPI_Comm_rank(gridcomm, &me);
@ -81,10 +84,13 @@ Grid2d::Grid2d(LAMMPS *lmp, MPI_Comm gcomm, int gnx, int gny) : Pointers(lmp)
ghost indices can extend < 0 or >= N
------------------------------------------------------------------------- */
Grid2d::Grid2d(LAMMPS *lmp, MPI_Comm gcomm, int gnx, int gny,
int ixlo, int ixhi, int iylo, int iyhi,
int oxlo, int oxhi, int oylo, int oyhi) :
Pointers(lmp)
Grid2d::Grid2d(LAMMPS *lmp, MPI_Comm gcomm, int gnx, int gny, int ixlo, int ixhi, int iylo,
int iyhi, int oxlo, int oxhi, int oylo, int oyhi) :
Pointers(lmp),
swap(nullptr), requests(nullptr), srequest(nullptr), rrequest(nullptr), sresponse(nullptr),
rresponse(nullptr), send(nullptr), recv(nullptr), copy(nullptr), send_remap(nullptr),
recv_remap(nullptr), overlap_procs(nullptr), xsplit(nullptr), ysplit(nullptr), zsplit(nullptr),
grid2proc(nullptr), rcbinfo(nullptr), overlap_list(nullptr)
{
gridcomm = gcomm;
MPI_Comm_rank(gridcomm, &me);
@ -129,12 +135,10 @@ Grid2d::~Grid2d()
// tiled comm data structs
for (int i = 0; i < nsend; i++)
memory->destroy(send[i].packlist);
for (int i = 0; i < nsend; i++) memory->destroy(send[i].packlist);
memory->sfree(send);
for (int i = 0; i < nrecv; i++)
memory->destroy(recv[i].unpacklist);
for (int i = 0; i < nrecv; i++) memory->destroy(recv[i].unpacklist);
memory->sfree(recv);
for (int i = 0; i < ncopy; i++) {
@ -223,8 +227,10 @@ void Grid2d::set_shift_atom(double shift_lo, double shift_hi)
void Grid2d::set_yfactor(double factor)
{
if (factor == 1.0) yextra = 0;
else yextra = 1;
if (factor == 1.0)
yextra = 0;
else
yextra = 1;
yfactor = factor;
}
@ -269,10 +275,9 @@ int Grid2d::identical(Grid2d *grid2)
grid2->get_bounds_ghost(outxlo2, outxhi2, outylo2, outyhi2);
int flag = 0;
if (inxlo != inxlo2 || inxhi != inxhi2 ||
inylo != inylo2 || inyhi != inyhi2) flag = 1;
if (outxlo != outxlo2 || outxhi != outxhi2 ||
outylo != outylo2 || outyhi != outyhi2) flag = 1;
if ((inxlo != inxlo2) || (inxhi != inxhi2) || (inylo != inylo2) || (inyhi != inyhi2)) flag = 1;
if ((outxlo != outxlo2) || (outxhi != outxhi2) || (outylo != outylo2) || (outyhi != outyhi2))
flag = 1;
int flagall;
MPI_Allreduce(&flag, &flagall, 1, MPI_INT, MPI_SUM, gridcomm);
@ -324,8 +329,8 @@ void Grid2d::get_bounds_ghost(int &xlo, int &xhi, int &ylo, int &yhi)
since no grid comm is done across non-periodic boundaries
------------------------------------------------------------------------- */
void Grid2d::setup_grid(int &ixlo, int &ixhi, int &iylo, int &iyhi,
int &oxlo, int &oxhi, int &oylo, int &oyhi)
void Grid2d::setup_grid(int &ixlo, int &ixhi, int &iylo, int &iyhi, int &oxlo, int &oxhi, int &oylo,
int &oyhi)
{
// owned grid cells = those whose grid point is within proc subdomain
// shift_grid = 0.5 for grid point at cell center, 0.0 for lower-left corner
@ -379,8 +384,7 @@ void Grid2d::initialize()
// error check on size of grid stored by this proc
bigint total = (bigint) (outxhi - outxlo + 1) * (outyhi - outylo + 1);
if (total > MAXSMALLINT)
error->one(FLERR, "Too many owned+ghost grid2d points");
if (total > MAXSMALLINT) error->one(FLERR, "Too many owned+ghost grid2d points");
// default = caller grid is allocated to ghost grid
// used when computing pack/unpack lists in indices()
@ -437,8 +441,8 @@ void Grid2d::initialize()
2 if test equalties insure a consistent decision as to which proc owns it
------------------------------------------------------------------------- */
void Grid2d::partition_grid(int ngrid, double fraclo, double frachi,
double shift, int extra, int &lo, int &hi)
void Grid2d::partition_grid(int ngrid, double fraclo, double frachi, double shift, int extra,
int &lo, int &hi)
{
if (extra == 0) {
lo = static_cast<int>(fraclo * ngrid);
@ -453,6 +457,7 @@ void Grid2d::partition_grid(int ngrid, double fraclo, double frachi,
}
}
// clang-format off
/* ----------------------------------------------------------------------
extend ghost grid cells in each direction beyond owned grid
indices into the global grid range from 0 to N-1 in each dim

11
src/grid3d.cpp
View File

@ -48,7 +48,11 @@ static constexpr int OFFSET = 16384;
------------------------------------------------------------------------- */
Grid3d::Grid3d(LAMMPS *lmp, MPI_Comm gcomm, int gnx, int gny, int gnz) :
Pointers(lmp)
Pointers(lmp), swap(nullptr), requests(nullptr), srequest(nullptr), rrequest(nullptr),
sresponse(nullptr), rresponse(nullptr), send(nullptr), recv(nullptr), copy(nullptr),
send_remap(nullptr), recv_remap(nullptr), overlap_procs(nullptr), xsplit(nullptr),
ysplit(nullptr), zsplit(nullptr), grid2proc(nullptr), rcbinfo(nullptr), overlap_list(nullptr)
{
gridcomm = gcomm;
MPI_Comm_rank(gridcomm,&me);
@ -87,7 +91,10 @@ Grid3d::Grid3d(LAMMPS *lmp, MPI_Comm gcomm, int gnx, int gny, int gnz) :
Grid3d::Grid3d(LAMMPS *lmp, MPI_Comm gcomm, int gnx, int gny, int gnz,
int ixlo, int ixhi, int iylo, int iyhi, int izlo, int izhi,
int oxlo, int oxhi, int oylo, int oyhi, int ozlo, int ozhi) :
Pointers(lmp)
Pointers(lmp), swap(nullptr), requests(nullptr), srequest(nullptr), rrequest(nullptr),
sresponse(nullptr), rresponse(nullptr), send(nullptr), recv(nullptr), copy(nullptr),
send_remap(nullptr), recv_remap(nullptr), overlap_procs(nullptr), xsplit(nullptr),
ysplit(nullptr), zsplit(nullptr), grid2proc(nullptr), rcbinfo(nullptr), overlap_list(nullptr)
{
gridcomm = gcomm;
MPI_Comm_rank(gridcomm,&me);