lmptype.h
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lmptype.h
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			/* -- c++ -- ----------------------------------------------------------
			LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
			http://lammps.sandia.gov, Sandia National Laboratories
			Steve Plimpton, sjplimp@sandia.gov

			Copyright (2003) Sandia Corporation. Under the terms of Contract
			DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
			certain rights in this software. This software is distributed under
			the GNU General Public License.

			See the README file in the top-level LAMMPS directory.
			------------------------------------------------------------------------- */

			// define integer data types used by LAMMPS and associated size limits

			// smallint = variables for on-procesor system (nlocal, nmax, etc)
			// imageint = variables for atom image flags (image)
			// tagint = variables for atom IDs and molecule IDs (tag,molecule)
			// bigint = variables for total system (natoms, ntimestep, etc)

			// smallint must be an int, as defined by C compiler
			// imageint can be 32-bit or 64-bit int, must be >= smallint
			// tagint can be 32-bit or 64-bit int, must be >= smallint
			// bigint can be 32-bit or 64-bit int, must be >= imageint,tagint

			// MPI_LMP_BIGINT = MPI data type corresponding to a bigint

			#ifndef LMP_LMPTYPE_H
			#define LMP_LMPTYPE_H

			#ifndef __STDC_LIMIT_MACROS
			#define __STDC_LIMIT_MACROS
			#endif

			#ifndef __STDC_FORMAT_MACROS
			#define __STDC_FORMAT_MACROS
			#endif

			#include "limits.h"
			#include "stdint.h"
			#include "inttypes.h"

			// grrr - IBM Power6 does not provide this def in their system header files

			#ifndef PRId64
			#define PRId64 "ld"
			#endif

			namespace LAMMPS_NS {

			// enum used for KOKKOS host/device flags

			enum ExecutionSpace{Host,Device};

			// reserve 2 hi bits in molecular system neigh list for special bonds flag
			// max local + ghost atoms per processor = 2^30 - 1

			#define SBBITS 30
			#define NEIGHMASK 0x3FFFFFFF

			// default to 32-bit smallint and other ints, 64-bit bigint

			#if !defined(LAMMPS_SMALLSMALL) && !defined(LAMMPS_BIGBIG) && !defined(LAMMPS_SMALLBIG)
			#define LAMMPS_SMALLBIG
			#endif

			// allow user override of LONGLONG to LONG, necessary for some machines/MPI

			#ifdef LAMMPS_LONGLONG_TO_LONG
			#define MPI_LL MPI_LONG
			#define ATOLL atoll
			#else
			#define MPI_LL MPI_LONG_LONG
			#define ATOLL atol
			#endif

			// for atomic problems that exceed 2 billion (2^31) atoms
			// 32-bit smallint/imageint/tagint, 64-bit bigint

			#ifdef LAMMPS_SMALLBIG

			typedef int smallint;
			typedef int imageint;
			typedef int tagint;
			typedef int64_t bigint;

			#define MAXSMALLINT INT_MAX
			#define MAXTAGINT INT_MAX
			#define MAXBIGINT INT64_MAX

			#define MPI_LMP_TAGINT MPI_INT
			#define MPI_LMP_BIGINT MPI_LL

			#define TAGINT_FORMAT "%d"
			#define BIGINT_FORMAT "%" PRId64

			#define ATOTAGINT atoi
			#define ATOBIGINT ATOLL

			#define IMGMASK 1023
			#define IMGMAX 512
			#define IMGBITS 10
			#define IMG2BITS 20

			#endif

			// for molecular problems that exceed 2 billion (2^31) atoms
			// or problems where atoms wrap around the periodic box more than 512 times
			// 32-bit smallint, 64-bit imageint/tagint/bigint

			#ifdef LAMMPS_BIGBIG

			typedef int smallint;
			typedef int64_t imageint;
			typedef int64_t tagint;
			typedef int64_t bigint;

			#define MAXSMALLINT INT_MAX
			#define MAXTAGINT INT64_MAX
			#define MAXBIGINT INT64_MAX

			#define MPI_LMP_TAGINT MPI_LL
			#define MPI_LMP_BIGINT MPI_LL

			#define TAGINT_FORMAT "%" PRId64
			#define BIGINT_FORMAT "%" PRId64

			#define ATOTAGINT ATOLL
			#define ATOBIGINT ATOLL

			#define IMGMASK 2097151
			#define IMGMAX 1048576
			#define IMGBITS 21
			#define IMG2BITS 42

			#endif

			// for machines that do not support 64-bit ints
			// 32-bit smallint/imageint/tagint/bigint

			#ifdef LAMMPS_SMALLSMALL

			typedef int smallint;
			typedef int imageint;
			typedef int tagint;
			typedef int bigint;

			#define MAXSMALLINT INT_MAX
			#define MAXTAGINT INT_MAX
			#define MAXBIGINT INT_MAX

			#define MPI_LMP_TAGINT MPI_INT
			#define MPI_LMP_BIGINT MPI_INT

			#define TAGINT_FORMAT "%d"
			#define BIGINT_FORMAT "%d"

			#define ATOTAGINT atoi
			#define ATOBIGINT atoi

			#define IMGMASK 1023
			#define IMGMAX 512
			#define IMGBITS 10
			#define IMG2BITS 20

			#endif

			}

			// preprocessor macros for compiler specific settings
			// clear previous definitions to avoid redefinition warning

			#ifdef _alignvar
			#undef _alignvar
			#endif
			#ifdef _noalias
			#undef _noalias
			#endif

			// define stack variable alignment

			#if defined(__INTEL_COMPILER)
			#define _alignvar(expr,val) __declspec(align(val)) expr
			#elif defined(__GNUC__)
			#define _alignvar(expr,val) expr __attribute((aligned(val)))
			#else
			#define _alignvar(expr,val) expr
			#endif

			// declaration to lift aliasing restrictions

			#if defined(__INTEL_COMPILER)
			#define _noalias restrict
			#elif defined(__GNUC__)
			#define _noalias __restrict
			#else
			#define _noalias
			#endif

			// settings to enable LAMMPS to build under Windows

			#ifdef _WIN32
			#include "lmpwindows.h"
			#endif

			#endif

lammps/src/lmptype.h777e82995de2master

lmptype.hView Options

lammps/src/lmptype.h
777e82995de2master

lmptype.h
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