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netcdf: default to float variable for everything

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The standard convention require all values to be stored as
float, users still have the ability to use double with
`dump_modify <id> double yes`
This commit is contained in:
Luthaf
2021-12-17 10:54:43 +01:00
parent 2d4f030f11
commit d04f428c1a
4 changed files with 28 additions and 25 deletions
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25
src/NETCDF/dump_netcdf.cpp
View File

@ -181,7 +181,7 @@ DumpNetCDF::DumpNetCDF(LAMMPS *lmp, int narg, char **arg) :
int_buffer = nullptr;
double_buffer = nullptr;
double_precision = false;
type_nc_real = NC_FLOAT;
thermo = false;
thermovar = nullptr;
@ -381,14 +381,14 @@ void DumpNetCDF::openfile()
NCERRX( nc_def_var(ncid, NC_CELL_ANGULAR_STR, NC_CHAR, 2, dims, &cell_angular_var), NC_CELL_ANGULAR_STR );
dims[0] = frame_dim;
NCERRX( nc_def_var(ncid, NC_TIME_STR, NC_DOUBLE, 1, dims, &time_var), NC_TIME_STR);
NCERRX( nc_def_var(ncid, NC_TIME_STR, type_nc_real, 1, dims, &time_var), NC_TIME_STR);
dims[0] = frame_dim;
dims[1] = cell_spatial_dim;
NCERRX( nc_def_var(ncid, NC_CELL_ORIGIN_STR, NC_DOUBLE, 2, dims, &cell_origin_var), NC_CELL_ORIGIN_STR );
NCERRX( nc_def_var(ncid, NC_CELL_LENGTHS_STR, NC_DOUBLE, 2, dims, &cell_lengths_var), NC_CELL_LENGTHS_STR );
NCERRX( nc_def_var(ncid, NC_CELL_ORIGIN_STR, type_nc_real, 2, dims, &cell_origin_var), NC_CELL_ORIGIN_STR );
NCERRX( nc_def_var(ncid, NC_CELL_LENGTHS_STR, type_nc_real, 2, dims, &cell_lengths_var), NC_CELL_LENGTHS_STR );
dims[0] = frame_dim;
dims[1] = cell_angular_dim;
NCERRX( nc_def_var(ncid, NC_CELL_ANGLES_STR, NC_DOUBLE, 2, dims, &cell_angles_var), NC_CELL_ANGLES_STR );
NCERRX( nc_def_var(ncid, NC_CELL_ANGLES_STR, type_nc_real, 2, dims, &cell_angles_var), NC_CELL_ANGLES_STR );
// variables specified in the input file
dims[0] = frame_dim;
@ -397,7 +397,6 @@ void DumpNetCDF::openfile()
for (int i = 0; i < n_perat; i++) {
nc_type xtype;
// Type mangling
if (vtype[perat[i].field[0]] == Dump::INT) {
xtype = NC_INT;
@ -406,10 +405,7 @@ void DumpNetCDF::openfile()
} else if (vtype[perat[i].field[0]] == Dump::STRING) {
error->all(FLERR,"Dump netcdf currently does not support dumping string properties");
} else {
if (double_precision)
xtype = NC_DOUBLE;
else
xtype = NC_FLOAT;
xtype = type_nc_real;
}
if (perat[i].constant) {
@ -437,7 +433,7 @@ void DumpNetCDF::openfile()
Thermo *th = output->thermo;
for (int i = 0; i < th->nfield; i++) {
if (th->vtype[i] == Thermo::FLOAT) {
NCERRX( nc_def_var(ncid, th->keyword[i], NC_DOUBLE, 1, dims,
NCERRX( nc_def_var(ncid, th->keyword[i], type_nc_real, 1, dims,
&thermovar[i]), th->keyword[i] );
} else if (th->vtype[i] == Thermo::INT) {
NCERRX( nc_def_var(ncid, th->keyword[i], NC_INT, 1, dims,
@ -872,7 +868,12 @@ int DumpNetCDF::modify_param(int narg, char **arg)
if (strcmp(arg[iarg],"double") == 0) {
iarg++;
if (iarg >= narg) error->all(FLERR,"expected 'yes' or 'no' after 'double' keyword.");
double_precision = utils::logical(FLERR,arg[iarg],false,lmp) == 1;
if (utils::logical(FLERR,arg[iarg],false,lmp) == 1)
type_nc_real = NC_DOUBLE;
else
type_nc_real = NC_FLOAT;
iarg++;
return 2;
} else if (strcmp(arg[iarg],"at") == 0) {

2
src/NETCDF/dump_netcdf.h
View File

@ -62,7 +62,7 @@ class DumpNetCDF : public DumpCustom {
int *thermovar; // NetCDF variables for thermo output
bool double_precision; // write everything as double precision
int type_nc_real; // netcdf type to use for real variables: float or double
bool thermo; // write thermo output to netcdf file
bigint n_buffer; // size of buffer

24
src/NETCDF/dump_netcdf_mpiio.cpp
View File

@ -179,7 +179,7 @@ DumpNetCDFMPIIO::DumpNetCDFMPIIO(LAMMPS *lmp, int narg, char **arg) :
int_buffer = nullptr;
double_buffer = nullptr;
double_precision = false;
type_nc_real = NC_FLOAT;
thermo = false;
thermovar = nullptr;
@ -382,14 +382,14 @@ void DumpNetCDFMPIIO::openfile()
NCERRX( ncmpi_def_var(ncid, NC_CELL_ANGULAR_STR, NC_CHAR, 2, dims, &cell_angular_var), NC_CELL_ANGULAR_STR );
dims[0] = frame_dim;
NCERRX( ncmpi_def_var(ncid, NC_TIME_STR, NC_DOUBLE, 1, dims, &time_var), NC_TIME_STR);
NCERRX( ncmpi_def_var(ncid, NC_TIME_STR, type_nc_real, 1, dims, &time_var), NC_TIME_STR);
dims[0] = frame_dim;
dims[1] = cell_spatial_dim;
NCERRX( ncmpi_def_var(ncid, NC_CELL_ORIGIN_STR, NC_DOUBLE, 2, dims, &cell_origin_var), NC_CELL_ORIGIN_STR );
NCERRX( ncmpi_def_var(ncid, NC_CELL_LENGTHS_STR, NC_DOUBLE, 2, dims, &cell_lengths_var), NC_CELL_LENGTHS_STR );
NCERRX( ncmpi_def_var(ncid, NC_CELL_ORIGIN_STR, type_nc_real, 2, dims, &cell_origin_var), NC_CELL_ORIGIN_STR );
NCERRX( ncmpi_def_var(ncid, NC_CELL_LENGTHS_STR, type_nc_real, 2, dims, &cell_lengths_var), NC_CELL_LENGTHS_STR );
dims[0] = frame_dim;
dims[1] = cell_angular_dim;
NCERRX( ncmpi_def_var(ncid, NC_CELL_ANGLES_STR, NC_DOUBLE, 2, dims, &cell_angles_var), NC_CELL_ANGLES_STR );
NCERRX( ncmpi_def_var(ncid, NC_CELL_ANGLES_STR, type_nc_real, 2, dims, &cell_angles_var), NC_CELL_ANGLES_STR );
// variables specified in the input file
dims[0] = frame_dim;
@ -405,10 +405,7 @@ void DumpNetCDFMPIIO::openfile()
} else if (vtype[perat[i].field[0]] == Dump::BIGINT) {
xtype = NC_INT64;
} else {
if (double_precision)
xtype = NC_DOUBLE;
else
xtype = NC_FLOAT;
xtype = type_nc_real;
}
if (perat[i].dims == 1) {
@ -425,7 +422,7 @@ void DumpNetCDFMPIIO::openfile()
Thermo *th = output->thermo;
for (int i = 0; i < th->nfield; i++) {
if (th->vtype[i] == Thermo::FLOAT) {
NCERRX( ncmpi_def_var(ncid, th->keyword[i], NC_DOUBLE, 1, dims, &thermovar[i]), th->keyword[i] );
NCERRX( ncmpi_def_var(ncid, th->keyword[i], type_nc_real, 1, dims, &thermovar[i]), th->keyword[i] );
} else if (th->vtype[i] == Thermo::INT) {
NCERRX( ncmpi_def_var(ncid, th->keyword[i], NC_INT, 1, dims, &thermovar[i]), th->keyword[i] );
} else if (th->vtype[i] == Thermo::BIGINT) {
@ -867,7 +864,12 @@ int DumpNetCDFMPIIO::modify_param(int narg, char **arg)
if (strcmp(arg[iarg],"double") == 0) {
iarg++;
if (iarg >= narg) error->all(FLERR,"expected 'yes' or 'no' after 'double' keyword.");
double_precision = utils::logical(FLERR,arg[iarg],false,lmp) == 1;
if (utils::logical(FLERR,arg[iarg],false,lmp) == 1)
type_nc_real = NC_DOUBLE;
else
type_nc_real = NC_FLOAT;
iarg++;
return 2;
} else if (strcmp(arg[iarg],"at") == 0) {

2
src/NETCDF/dump_netcdf_mpiio.h
View File

@ -61,7 +61,7 @@ class DumpNetCDFMPIIO : public DumpCustom {
int *thermovar; // NetCDF variables for thermo output
bool double_precision; // write everything as double precision
int type_nc_real; // netcdf type to use for real variables: float or double
bool thermo; // write thermo output to netcdf file
bigint n_buffer; // size of buffer