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39 #include "types/commrec.h"
40 #include "domdec_network.h"
42 #include "gromacs/utility/gmxmpi.h"
45 #define DDMASTERRANK(dd) (dd->masterrank)
48 void dd_sendrecv_int(const gmx_domdec_t gmx_unused *dd,
49 int gmx_unused ddimind, int gmx_unused direction,
50 int gmx_unused *buf_s, int gmx_unused n_s,
51 int gmx_unused *buf_r, int gmx_unused n_r)
57 rank_s = dd->neighbor[ddimind][direction == dddirForward ? 0 : 1];
58 rank_r = dd->neighbor[ddimind][direction == dddirForward ? 1 : 0];
62 MPI_Sendrecv(buf_s, n_s*sizeof(int), MPI_BYTE, rank_s, 0,
63 buf_r, n_r*sizeof(int), MPI_BYTE, rank_r, 0,
64 dd->mpi_comm_all, &stat);
68 MPI_Send( buf_s, n_s*sizeof(int), MPI_BYTE, rank_s, 0,
73 MPI_Recv( buf_r, n_r*sizeof(int), MPI_BYTE, rank_r, 0,
74 dd->mpi_comm_all, &stat);
80 void dd_sendrecv_real(const gmx_domdec_t gmx_unused *dd,
81 int gmx_unused ddimind, int gmx_unused direction,
82 real gmx_unused *buf_s, int gmx_unused n_s,
83 real gmx_unused *buf_r, int gmx_unused n_r)
89 rank_s = dd->neighbor[ddimind][direction == dddirForward ? 0 : 1];
90 rank_r = dd->neighbor[ddimind][direction == dddirForward ? 1 : 0];
94 MPI_Sendrecv(buf_s, n_s*sizeof(real), MPI_BYTE, rank_s, 0,
95 buf_r, n_r*sizeof(real), MPI_BYTE, rank_r, 0,
96 dd->mpi_comm_all, &stat);
100 MPI_Send( buf_s, n_s*sizeof(real), MPI_BYTE, rank_s, 0,
105 MPI_Recv( buf_r, n_r*sizeof(real), MPI_BYTE, rank_r, 0,
106 dd->mpi_comm_all, &stat);
112 void dd_sendrecv_rvec(const gmx_domdec_t gmx_unused *dd,
113 int gmx_unused ddimind, int gmx_unused direction,
114 rvec gmx_unused *buf_s, int gmx_unused n_s,
115 rvec gmx_unused *buf_r, int gmx_unused n_r)
121 rank_s = dd->neighbor[ddimind][direction == dddirForward ? 0 : 1];
122 rank_r = dd->neighbor[ddimind][direction == dddirForward ? 1 : 0];
126 MPI_Sendrecv(buf_s[0], n_s*sizeof(rvec), MPI_BYTE, rank_s, 0,
127 buf_r[0], n_r*sizeof(rvec), MPI_BYTE, rank_r, 0,
128 dd->mpi_comm_all, &stat);
132 MPI_Send( buf_s[0], n_s*sizeof(rvec), MPI_BYTE, rank_s, 0,
137 MPI_Recv( buf_r[0], n_r*sizeof(rvec), MPI_BYTE, rank_r, 0,
138 dd->mpi_comm_all, &stat);
144 void dd_sendrecv2_rvec(const gmx_domdec_t gmx_unused *dd,
145 int gmx_unused ddimind,
146 rvec gmx_unused *buf_s_fw, int gmx_unused n_s_fw,
147 rvec gmx_unused *buf_r_fw, int gmx_unused n_r_fw,
148 rvec gmx_unused *buf_s_bw, int gmx_unused n_s_bw,
149 rvec gmx_unused *buf_r_bw, int gmx_unused n_r_bw)
152 int rank_fw, rank_bw, nreq;
156 rank_fw = dd->neighbor[ddimind][0];
157 rank_bw = dd->neighbor[ddimind][1];
161 /* Try to send and receive in two directions simultaneously.
162 * Should be faster, especially on machines
163 * with full 3D communication networks.
164 * However, it could be that communication libraries are
165 * optimized for MPI_Sendrecv and non-blocking MPI calls
167 * SendRecv2 can be turned on with the env.var. GMX_DD_SENDRECV2
172 MPI_Irecv(buf_r_fw[0], n_r_fw*sizeof(rvec), MPI_BYTE,
173 rank_bw, 0, dd->mpi_comm_all, &req[nreq++]);
177 MPI_Irecv(buf_r_bw[0], n_r_bw*sizeof(rvec), MPI_BYTE,
178 rank_fw, 1, dd->mpi_comm_all, &req[nreq++]);
182 MPI_Isend(buf_s_fw[0], n_s_fw*sizeof(rvec), MPI_BYTE,
183 rank_fw, 0, dd->mpi_comm_all, &req[nreq++]);
187 MPI_Isend(buf_s_bw[0], n_s_bw*sizeof(rvec), MPI_BYTE,
188 rank_bw, 1, dd->mpi_comm_all, &req[nreq++]);
192 MPI_Waitall(nreq, req, stat);
197 /* Communicate in two ordered phases.
198 * This is slower, even on a dual-core Opteron cluster
199 * with a single full-duplex network connection per machine.
202 MPI_Sendrecv(buf_s_fw[0], n_s_fw*sizeof(rvec), MPI_BYTE, rank_fw, 0,
203 buf_r_fw[0], n_r_fw*sizeof(rvec), MPI_BYTE, rank_bw, 0,
204 dd->mpi_comm_all, &stat[0]);
206 MPI_Sendrecv(buf_s_bw[0], n_s_bw*sizeof(rvec), MPI_BYTE, rank_bw, 0,
207 buf_r_bw[0], n_r_bw*sizeof(rvec), MPI_BYTE, rank_fw, 0,
208 dd->mpi_comm_all, &stat[0]);
213 /* IBM's BlueGene(/L) MPI_Bcast dereferences the data pointer
214 * even when 0 == nbytes, so we protect calls to it on BlueGene.
215 * Fortunately dd_bcast() and dd_bcastc() are only
216 * called during DD setup and partition.
219 void dd_bcast(gmx_domdec_t gmx_unused *dd, int gmx_unused nbytes, void gmx_unused *data)
226 MPI_Bcast(data, nbytes, MPI_BYTE,
227 DDMASTERRANK(dd), dd->mpi_comm_all);
234 void dd_bcastc(gmx_domdec_t *dd, int nbytes, void *src, void *dest)
238 memcpy(dest, src, nbytes);
245 MPI_Bcast(dest, nbytes, MPI_BYTE,
246 DDMASTERRANK(dd), dd->mpi_comm_all);
253 void dd_scatter(gmx_domdec_t gmx_unused *dd, int gmx_unused nbytes, void gmx_unused *src, void gmx_unused *dest)
256 MPI_Scatter(src, nbytes, MPI_BYTE,
257 dest, nbytes, MPI_BYTE,
258 DDMASTERRANK(dd), dd->mpi_comm_all);
262 void dd_gather(gmx_domdec_t gmx_unused *dd, int gmx_unused nbytes, void gmx_unused *src, void gmx_unused *dest)
265 MPI_Gather(src, nbytes, MPI_BYTE,
266 dest, nbytes, MPI_BYTE,
267 DDMASTERRANK(dd), dd->mpi_comm_all);
271 void dd_scatterv(gmx_domdec_t gmx_unused *dd,
272 int gmx_unused *scounts, int gmx_unused *disps, void gmx_unused *sbuf,
273 int gmx_unused rcount, void gmx_unused *rbuf)
280 /* MPI does not allow NULL pointers */
283 MPI_Scatterv(sbuf, scounts, disps, MPI_BYTE,
284 rbuf, rcount, MPI_BYTE,
285 DDMASTERRANK(dd), dd->mpi_comm_all);
289 void dd_gatherv(gmx_domdec_t gmx_unused *dd,
290 int gmx_unused scount, void gmx_unused *sbuf,
291 int gmx_unused *rcounts, int gmx_unused *disps, void gmx_unused *rbuf)
298 /* MPI does not allow NULL pointers */
301 MPI_Gatherv(sbuf, scount, MPI_BYTE,
302 rbuf, rcounts, disps, MPI_BYTE,
303 DDMASTERRANK(dd), dd->mpi_comm_all);