MAINT: bigint (int64) maps onto either long or long long, depending on... (6e342d2e) · Commits · 郑智淋 / lammps

src/USER-NETCDF/dump_netcdf.cpp

+28 −11

Original line number	Diff line number	Diff line
		@@ -607,6 +607,32 @@ void DumpNetCDF::closefile()

		/* ---------------------------------------------------------------------- */

		template <typename T>
		int nc_put_var1_x(int ncid, int varid, const size_t index[], const T* tp)
		{
		return nc_put_var1_double(ncid, varid, index, tp);
		}

		template <>
		int nc_put_var1_x<int>(int ncid, int varid, const size_t index[], const int* tp)
		{
		return nc_put_var1_int(ncid, varid, index, tp);
		}

		template <>
		int nc_put_var1_x<long>(int ncid, int varid, const size_t index[],
		const long* tp)
		{
		return nc_put_var1_long(ncid, varid, index, tp);
		}

		template <>
		int nc_put_var1_x<long long>(int ncid, int varid, const size_t index[],
		const long long* tp)
		{
		return nc_put_var1_longlong(ncid, varid, index, tp);
		}

		void DumpNetCDF::write()
		{
		// open file
		@@ -638,13 +664,8 @@ void DumpNetCDF::write()
		th->keyword[i] );
		}
		else if (th->vtype[i] == BIGINT) {
		#if defined(LAMMPS_SMALLBIG) \|\| defined(LAMMPS_BIGBIG)
		NCERRX( nc_put_var1_long(ncid, thermovar[i], start, &th->bivalue),
		NCERRX( nc_put_var1_x(ncid, thermovar[i], start, &th->bivalue),
		th->keyword[i] );
		#else
		NCERRX( nc_put_var1_int(ncid, thermovar[i], start, &th->bivalue),
		th->keyword[i] );
		#endif
		}
		}
		}
		@@ -930,11 +951,7 @@ void DumpNetCDF::write_prmtop()

		fprintf(f, "%%FLAG POINTERS\n");
		fprintf(f, "%%FORMAT(10I8)\n");
		#if defined(LAMMPS_SMALLBIG) \|\| defined(LAMMPS_BIGBIG)
		fprintf(f, "%8li", ntotalgr);
		#else
		fprintf(f, "%8i", ntotalgr);
		#endif
		fprintf(f, BIGINT_FORMAT, ntotalgr);
		for (int i = 0; i < 11; i++)
		fprintf(f, "%8i", 0);
		fprintf(f, "\n");

src/USER-NETCDF/dump_netcdf_mpiio.cpp

+29 −6

Original line number	Diff line number	Diff line
		@@ -583,6 +583,34 @@ void DumpNetCDFMPIIO::closefile()

		/* ---------------------------------------------------------------------- */

		template <typename T>
		int ncmpi_put_var1_x(int ncid, int varid, const MPI_Offset index[],
		const T* tp)
		{
		return ncmpi_put_var1_double(ncid, varid, index, tp);
		}

		template <>
		int ncmpi_put_var1_x<int>(int ncid, int varid, const MPI_Offset index[],
		const int* tp)
		{
		return ncmpi_put_var1_int(ncid, varid, index, tp);
		}

		template <>
		int ncmpi_put_var1_x<long>(int ncid, int varid, const MPI_Offset index[],
		const long* tp)
		{
		return ncmpi_put_var1_long(ncid, varid, index, tp);
		}

		template <>
		int ncmpi_put_var1_x<long long>(int ncid, int varid, const MPI_Offset index[],
		const long long* tp)
		{
		return ncmpi_put_var1_longlong(ncid, varid, index, tp);
		}

		void DumpNetCDFMPIIO::write()
		{
		// open file
		@@ -616,13 +644,8 @@ void DumpNetCDFMPIIO::write()
		th->keyword[i] );
		}
		else if (th->vtype[i] == BIGINT) {
		#if defined(LAMMPS_SMALLBIG) \|\| defined(LAMMPS_BIGBIG)
		NCERRX( ncmpi_put_var1_long(ncid, thermovar[i], start, &th->bivalue),
		th->keyword[i] );
		#else
		NCERRX( ncmpi_put_var1_int(ncid, thermovar[i], start, &th->bivalue),
		NCERRX( ncmpi_put_var1_x(ncid, thermovar[i], start, &th->bivalue),
		th->keyword[i] );
		#endif
		}
		}
		}

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