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dbm_mpi.h
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1/*----------------------------------------------------------------------------*/
2/* CP2K: A general program to perform molecular dynamics simulations */
3/* Copyright 2000-2024 CP2K developers group <https://cp2k.org> */
4/* */
5/* SPDX-License-Identifier: BSD-3-Clause */
6/*----------------------------------------------------------------------------*/
7
8#ifndef DBM_MPI_H
9#define DBM_MPI_H
10
11#include <stdbool.h>
12#include <stdint.h>
13
14#if defined(__parallel)
15#include <mpi.h>
16typedef MPI_Comm dbm_mpi_comm_t;
17#else
18typedef int dbm_mpi_comm_t;
19#endif
20
21/*******************************************************************************
22 * \brief Wrapper around MPI_Init.
23 * \author Ole Schuett
24 ******************************************************************************/
25void dbm_mpi_init(int *argc, char ***argv);
26
27/*******************************************************************************
28 * \brief Wrapper around MPI_Finalize.
29 * \author Ole Schuett
30 ******************************************************************************/
31void dbm_mpi_finalize();
32
33/*******************************************************************************
34 * \brief Returns MPI_COMM_WORLD.
35 * \author Ole Schuett
36 ******************************************************************************/
37dbm_mpi_comm_t dbm_mpi_get_comm_world();
38
39/*******************************************************************************
40 * \brief Wrapper around MPI_Comm_f2c.
41 * \author Ole Schuett
42 ******************************************************************************/
43dbm_mpi_comm_t dbm_mpi_comm_f2c(const int fortran_comm);
44
45/*******************************************************************************
46 * \brief Wrapper around MPI_Comm_c2f.
47 * \author Ole Schuett
48 ******************************************************************************/
49int dbm_mpi_comm_c2f(const dbm_mpi_comm_t comm);
50
51/*******************************************************************************
52 * \brief Wrapper around MPI_Comm_rank.
53 * \author Ole Schuett
54 ******************************************************************************/
55int dbm_mpi_comm_rank(const dbm_mpi_comm_t comm);
56
57/*******************************************************************************
58 * \brief Wrapper around MPI_Comm_size.
59 * \author Ole Schuett
60 ******************************************************************************/
61int dbm_mpi_comm_size(const dbm_mpi_comm_t comm);
62
63/*******************************************************************************
64 * \brief Wrapper around MPI_Dims_create.
65 * \author Ole Schuett
66 ******************************************************************************/
67void dbm_mpi_dims_create(const int nnodes, const int ndims, int dims[]);
68
69/*******************************************************************************
70 * \brief Wrapper around MPI_Cart_create.
71 * \author Ole Schuett
72 ******************************************************************************/
73dbm_mpi_comm_t dbm_mpi_cart_create(const dbm_mpi_comm_t comm_old,
74 const int ndims, const int dims[],
75 const int periods[], const int reorder);
76
77/*******************************************************************************
78 * \brief Wrapper around MPI_Cart_get.
79 * \author Ole Schuett
80 ******************************************************************************/
81void dbm_mpi_cart_get(const dbm_mpi_comm_t comm, int maxdims, int dims[],
82 int periods[], int coords[]);
83
84/*******************************************************************************
85 * \brief Wrapper around MPI_Cart_rank.
86 * \author Ole Schuett
87 ******************************************************************************/
88int dbm_mpi_cart_rank(const dbm_mpi_comm_t comm, const int coords[]);
89
90/*******************************************************************************
91 * \brief Wrapper around MPI_Cart_sub.
92 * \author Ole Schuett
93 ******************************************************************************/
94dbm_mpi_comm_t dbm_mpi_cart_sub(const dbm_mpi_comm_t comm,
95 const int remain_dims[]);
96
97/*******************************************************************************
98 * \brief Wrapper around MPI_Comm_free.
99 * \author Ole Schuett
100 ******************************************************************************/
101void dbm_mpi_comm_free(dbm_mpi_comm_t *comm);
102
103/*******************************************************************************
104 * \brief Wrapper around MPI_Comm_compare.
105 * \author Ole Schuett
106 ******************************************************************************/
107bool dbm_mpi_comms_are_similar(const dbm_mpi_comm_t comm1,
108 const dbm_mpi_comm_t comm2);
109
110/*******************************************************************************
111 * \brief Wrapper around MPI_Allreduce for op MPI_MAX and datatype MPI_INT.
112 * \author Ole Schuett
113 ******************************************************************************/
114void dbm_mpi_max_int(int *values, const int count, const dbm_mpi_comm_t comm);
115
116/*******************************************************************************
117 * \brief Wrapper around MPI_Allreduce for op MPI_MAX and datatype MPI_DOUBLE.
118 * \author Ole Schuett
119 ******************************************************************************/
120void dbm_mpi_max_double(double *values, const int count,
121 const dbm_mpi_comm_t comm);
122
123/*******************************************************************************
124 * \brief Wrapper around MPI_Allreduce for op MPI_SUM and datatype MPI_INT.
125 * \author Ole Schuett
126 ******************************************************************************/
127void dbm_mpi_sum_int(int *values, const int count, const dbm_mpi_comm_t comm);
128
129/*******************************************************************************
130 * \brief Wrapper around MPI_Allreduce for op MPI_SUM and datatype MPI_INT64_T.
131 * \author Ole Schuett
132 ******************************************************************************/
133void dbm_mpi_sum_int64(int64_t *values, const int count,
134 const dbm_mpi_comm_t comm);
135
136/*******************************************************************************
137 * \brief Wrapper around MPI_Allreduce for op MPI_SUM and datatype MPI_DOUBLE.
138 * \author Ole Schuett
139 ******************************************************************************/
140void dbm_mpi_sum_double(double *values, const int count,
141 const dbm_mpi_comm_t comm);
142
143/*******************************************************************************
144 * \brief Wrapper around MPI_Sendrecv for datatype MPI_BYTE.
145 * \author Ole Schuett
146 ******************************************************************************/
147int dbm_mpi_sendrecv_byte(const void *sendbuf, const int sendcount,
148 const int dest, const int sendtag, void *recvbuf,
149 const int recvcount, const int source,
150 const int recvtag, const dbm_mpi_comm_t comm);
151
152/*******************************************************************************
153 * \brief Wrapper around MPI_Sendrecv for datatype MPI_DOUBLE.
154 * \author Ole Schuett
155 ******************************************************************************/
156int dbm_mpi_sendrecv_double(const double *sendbuf, const int sendcount,
157 const int dest, const int sendtag, double *recvbuf,
158 const int recvcount, const int source,
159 const int recvtag, const dbm_mpi_comm_t comm);
160
161/*******************************************************************************
162 * \brief Wrapper around MPI_Alltoall for datatype MPI_INT.
163 * \author Ole Schuett
164 ******************************************************************************/
165void dbm_mpi_alltoall_int(const int *sendbuf, const int sendcount, int *recvbuf,
166 const int recvcount, const dbm_mpi_comm_t comm);
167
168/*******************************************************************************
169 * \brief Wrapper around MPI_Alltoallv for datatype MPI_BYTE.
170 * \author Ole Schuett
171 ******************************************************************************/
172void dbm_mpi_alltoallv_byte(const void *sendbuf, const int *sendcounts,
173 const int *sdispls, void *recvbuf,
174 const int *recvcounts, const int *rdispls,
175 const dbm_mpi_comm_t comm);
176
177/*******************************************************************************
178 * \brief Wrapper around MPI_Alltoallv for datatype MPI_DOUBLE.
179 * \author Ole Schuett
180 ******************************************************************************/
181void dbm_mpi_alltoallv_double(const double *sendbuf, const int *sendcounts,
182 const int *sdispls, double *recvbuf,
183 const int *recvcounts, const int *rdispls,
184 const dbm_mpi_comm_t comm);
185
186#endif
187
188// EOF
dbm_mpi_sendrecv_byte
int dbm_mpi_sendrecv_byte(const void *sendbuf, const int sendcount, const int dest, const int sendtag, void *recvbuf, const int recvcount, const int source, const int recvtag, const dbm_mpi_comm_t comm)
Wrapper around MPI_Sendrecv for datatype MPI_BYTE.
Definition dbm_mpi.c:326
dbm_mpi_finalize
void dbm_mpi_finalize()
Wrapper around MPI_Finalize.
Definition dbm_mpi.c:44
dbm_mpi_comm_rank
int dbm_mpi_comm_rank(const dbm_mpi_comm_t comm)
Wrapper around MPI_Comm_rank.
Definition dbm_mpi.c:92
dbm_mpi_cart_rank
int dbm_mpi_cart_rank(const dbm_mpi_comm_t comm, const int coords[])
Wrapper around MPI_Cart_rank.
Definition dbm_mpi.c:176
dbm_mpi_comms_are_similar
bool dbm_mpi_comms_are_similar(const dbm_mpi_comm_t comm1, const dbm_mpi_comm_t comm2)
Wrapper around MPI_Comm_compare.
Definition dbm_mpi.c:221
dbm_mpi_comm_size
int dbm_mpi_comm_size(const dbm_mpi_comm_t comm)
Wrapper around MPI_Comm_size.
Definition dbm_mpi.c:107
dbm_mpi_alltoallv_byte
void dbm_mpi_alltoallv_byte(const void *sendbuf, const int *sendcounts, const int *sdispls, void *recvbuf, const int *recvcounts, const int *rdispls, const dbm_mpi_comm_t comm)
Wrapper around MPI_Alltoallv for datatype MPI_BYTE.
Definition dbm_mpi.c:402
dbm_mpi_comm_t
int dbm_mpi_comm_t
Definition dbm_mpi.h:18
dbm_mpi_init
void dbm_mpi_init(int *argc, char ***argv)
Wrapper around MPI_Init.
Definition dbm_mpi.c:31
dbm_mpi_sum_double
void dbm_mpi_sum_double(double *values, const int count, const dbm_mpi_comm_t comm)
Wrapper around MPI_Allreduce for op MPI_SUM and datatype MPI_DOUBLE.
Definition dbm_mpi.c:308
dbm_mpi_cart_create
dbm_mpi_comm_t dbm_mpi_cart_create(const dbm_mpi_comm_t comm_old, const int ndims, const int dims[], const int periods[], const int reorder)
Wrapper around MPI_Cart_create.
Definition dbm_mpi.c:137
dbm_mpi_sum_int64
void dbm_mpi_sum_int64(int64_t *values, const int count, const dbm_mpi_comm_t comm)
Wrapper around MPI_Allreduce for op MPI_SUM and datatype MPI_INT64_T.
Definition dbm_mpi.c:290
dbm_mpi_max_double
void dbm_mpi_max_double(double *values, const int count, const dbm_mpi_comm_t comm)
Wrapper around MPI_Allreduce for op MPI_MAX and datatype MPI_DOUBLE.
Definition dbm_mpi.c:255
dbm_mpi_alltoall_int
void dbm_mpi_alltoall_int(const int *sendbuf, const int sendcount, int *recvbuf, const int recvcount, const dbm_mpi_comm_t comm)
Wrapper around MPI_Alltoall for datatype MPI_INT.
Definition dbm_mpi.c:386
dbm_mpi_sendrecv_double
int dbm_mpi_sendrecv_double(const double *sendbuf, const int sendcount, const int dest, const int sendtag, double *recvbuf, const int recvcount, const int source, const int recvtag, const dbm_mpi_comm_t comm)
Wrapper around MPI_Sendrecv for datatype MPI_DOUBLE.
Definition dbm_mpi.c:356
dbm_mpi_max_int
void dbm_mpi_max_int(int *values, const int count, const dbm_mpi_comm_t comm)
Wrapper around MPI_Allreduce for op MPI_MAX and datatype MPI_INT.
Definition dbm_mpi.c:238
dbm_mpi_cart_sub
dbm_mpi_comm_t dbm_mpi_cart_sub(const dbm_mpi_comm_t comm, const int remain_dims[])
Wrapper around MPI_Cart_sub.
Definition dbm_mpi.c:192
dbm_mpi_dims_create
void dbm_mpi_dims_create(const int nnodes, const int ndims, int dims[])
Wrapper around MPI_Dims_create.
Definition dbm_mpi.c:122
dbm_mpi_comm_c2f
int dbm_mpi_comm_c2f(const dbm_mpi_comm_t comm)
Wrapper around MPI_Comm_c2f.
Definition dbm_mpi.c:79
dbm_mpi_comm_free
void dbm_mpi_comm_free(dbm_mpi_comm_t *comm)
Wrapper around MPI_Comm_free.
Definition dbm_mpi.c:209
dbm_mpi_alltoallv_double
void dbm_mpi_alltoallv_double(const double *sendbuf, const int *sendcounts, const int *sdispls, double *recvbuf, const int *recvcounts, const int *rdispls, const dbm_mpi_comm_t comm)
Wrapper around MPI_Alltoallv for datatype MPI_DOUBLE.
Definition dbm_mpi.c:421
dbm_mpi_cart_get
void dbm_mpi_cart_get(const dbm_mpi_comm_t comm, int maxdims, int dims[], int periods[], int coords[])
Wrapper around MPI_Cart_get.
Definition dbm_mpi.c:158
dbm_mpi_comm_f2c
dbm_mpi_comm_t dbm_mpi_comm_f2c(const int fortran_comm)
Wrapper around MPI_Comm_f2c.
Definition dbm_mpi.c:66
dbm_mpi_get_comm_world
dbm_mpi_comm_t dbm_mpi_get_comm_world()
Returns MPI_COMM_WORLD.
Definition dbm_mpi.c:54
dbm_mpi_sum_int
void dbm_mpi_sum_int(int *values, const int count, const dbm_mpi_comm_t comm)
Wrapper around MPI_Allreduce for op MPI_SUM and datatype MPI_INT.
Definition dbm_mpi.c:273