-/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
+/*
+ * This file is part of the GROMACS molecular simulation package.
*
- *
- * This file is part of Gromacs Copyright (c) 1991-2008
- * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen.
+ * Copyright (c) 2008,2009,2010,2012,2013,2014, by the GROMACS development team, led by
+ * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
+ * and including many others, as listed in the AUTHORS file in the
+ * top-level source directory and at http://www.gromacs.org.
*
- * This program is free software; you can redistribute it and/or
- * modify it under the terms of the GNU General Public License
- * as published by the Free Software Foundation; either version 2
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
* of the License, or (at your option) any later version.
*
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
+ *
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
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+ * If you want to redistribute modifications to GROMACS, please
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+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
+ *
* To help us fund GROMACS development, we humbly ask that you cite
- * the research papers on the package. Check out http://www.gromacs.org
- *
- * And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * the research papers on the package. Check out http://www.gromacs.org.
*/
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
+
+#include "gromacs/legacyheaders/domdec_network.h"
+
+#include "config.h"
#include <string.h>
-#include "domdec_network.h"
-#ifdef GMX_LIB_MPI
-#include <mpi.h>
-#endif
-#ifdef GMX_THREAD_MPI
-#include "tmpi.h"
-#endif
+#include "gromacs/legacyheaders/types/commrec.h"
+#include "gromacs/utility/gmxmpi.h"
#define DDMASTERRANK(dd) (dd->masterrank)
-void dd_sendrecv_int(const gmx_domdec_t *dd,
- int ddimind,int direction,
- int *buf_s,int n_s,
- int *buf_r,int n_r)
+void dd_sendrecv_int(const gmx_domdec_t gmx_unused *dd,
+ int gmx_unused ddimind, int gmx_unused direction,
+ int gmx_unused *buf_s, int gmx_unused n_s,
+ int gmx_unused *buf_r, int gmx_unused n_r)
{
#ifdef GMX_MPI
- int rank_s,rank_r;
+ int rank_s, rank_r;
MPI_Status stat;
-
- rank_s = dd->neighbor[ddimind][direction==dddirForward ? 0 : 1];
- rank_r = dd->neighbor[ddimind][direction==dddirForward ? 1 : 0];
-
+
+ rank_s = dd->neighbor[ddimind][direction == dddirForward ? 0 : 1];
+ rank_r = dd->neighbor[ddimind][direction == dddirForward ? 1 : 0];
+
if (n_s && n_r)
{
- MPI_Sendrecv(buf_s,n_s*sizeof(int),MPI_BYTE,rank_s,0,
- buf_r,n_r*sizeof(int),MPI_BYTE,rank_r,0,
- dd->mpi_comm_all,&stat);
+ MPI_Sendrecv(buf_s, n_s*sizeof(int), MPI_BYTE, rank_s, 0,
+ buf_r, n_r*sizeof(int), MPI_BYTE, rank_r, 0,
+ dd->mpi_comm_all, &stat);
}
else if (n_s)
{
- MPI_Send( buf_s,n_s*sizeof(int),MPI_BYTE,rank_s,0,
+ MPI_Send( buf_s, n_s*sizeof(int), MPI_BYTE, rank_s, 0,
dd->mpi_comm_all);
}
else if (n_r)
{
- MPI_Recv( buf_r,n_r*sizeof(int),MPI_BYTE,rank_r,0,
- dd->mpi_comm_all,&stat);
+ MPI_Recv( buf_r, n_r*sizeof(int), MPI_BYTE, rank_r, 0,
+ dd->mpi_comm_all, &stat);
}
-
+
#endif
}
-void dd_sendrecv_real(const gmx_domdec_t *dd,
- int ddimind,int direction,
- real *buf_s,int n_s,
- real *buf_r,int n_r)
+void dd_sendrecv_real(const gmx_domdec_t gmx_unused *dd,
+ int gmx_unused ddimind, int gmx_unused direction,
+ real gmx_unused *buf_s, int gmx_unused n_s,
+ real gmx_unused *buf_r, int gmx_unused n_r)
{
#ifdef GMX_MPI
- int rank_s,rank_r;
+ int rank_s, rank_r;
MPI_Status stat;
-
- rank_s = dd->neighbor[ddimind][direction==dddirForward ? 0 : 1];
- rank_r = dd->neighbor[ddimind][direction==dddirForward ? 1 : 0];
-
+
+ rank_s = dd->neighbor[ddimind][direction == dddirForward ? 0 : 1];
+ rank_r = dd->neighbor[ddimind][direction == dddirForward ? 1 : 0];
+
if (n_s && n_r)
{
- MPI_Sendrecv(buf_s,n_s*sizeof(real),MPI_BYTE,rank_s,0,
- buf_r,n_r*sizeof(real),MPI_BYTE,rank_r,0,
- dd->mpi_comm_all,&stat);
+ MPI_Sendrecv(buf_s, n_s*sizeof(real), MPI_BYTE, rank_s, 0,
+ buf_r, n_r*sizeof(real), MPI_BYTE, rank_r, 0,
+ dd->mpi_comm_all, &stat);
}
else if (n_s)
{
- MPI_Send( buf_s,n_s*sizeof(real),MPI_BYTE,rank_s,0,
+ MPI_Send( buf_s, n_s*sizeof(real), MPI_BYTE, rank_s, 0,
dd->mpi_comm_all);
}
else if (n_r)
{
- MPI_Recv( buf_r,n_r*sizeof(real),MPI_BYTE,rank_r,0,
- dd->mpi_comm_all,&stat);
+ MPI_Recv( buf_r, n_r*sizeof(real), MPI_BYTE, rank_r, 0,
+ dd->mpi_comm_all, &stat);
}
-
+
#endif
}
-void dd_sendrecv_rvec(const gmx_domdec_t *dd,
- int ddimind,int direction,
- rvec *buf_s,int n_s,
- rvec *buf_r,int n_r)
+void dd_sendrecv_rvec(const gmx_domdec_t gmx_unused *dd,
+ int gmx_unused ddimind, int gmx_unused direction,
+ rvec gmx_unused *buf_s, int gmx_unused n_s,
+ rvec gmx_unused *buf_r, int gmx_unused n_r)
{
#ifdef GMX_MPI
- int rank_s,rank_r;
+ int rank_s, rank_r;
MPI_Status stat;
-
- rank_s = dd->neighbor[ddimind][direction==dddirForward ? 0 : 1];
- rank_r = dd->neighbor[ddimind][direction==dddirForward ? 1 : 0];
-
+
+ rank_s = dd->neighbor[ddimind][direction == dddirForward ? 0 : 1];
+ rank_r = dd->neighbor[ddimind][direction == dddirForward ? 1 : 0];
+
if (n_s && n_r)
{
- MPI_Sendrecv(buf_s[0],n_s*sizeof(rvec),MPI_BYTE,rank_s,0,
- buf_r[0],n_r*sizeof(rvec),MPI_BYTE,rank_r,0,
- dd->mpi_comm_all,&stat);
+ MPI_Sendrecv(buf_s[0], n_s*sizeof(rvec), MPI_BYTE, rank_s, 0,
+ buf_r[0], n_r*sizeof(rvec), MPI_BYTE, rank_r, 0,
+ dd->mpi_comm_all, &stat);
}
else if (n_s)
{
- MPI_Send( buf_s[0],n_s*sizeof(rvec),MPI_BYTE,rank_s,0,
+ MPI_Send( buf_s[0], n_s*sizeof(rvec), MPI_BYTE, rank_s, 0,
dd->mpi_comm_all);
- } else if (n_r)
+ }
+ else if (n_r)
{
- MPI_Recv( buf_r[0],n_r*sizeof(rvec),MPI_BYTE,rank_r,0,
- dd->mpi_comm_all,&stat);
+ MPI_Recv( buf_r[0], n_r*sizeof(rvec), MPI_BYTE, rank_r, 0,
+ dd->mpi_comm_all, &stat);
}
-
+
#endif
}
-void dd_sendrecv2_rvec(const gmx_domdec_t *dd,
- int ddimind,
- rvec *buf_s_fw,int n_s_fw,
- rvec *buf_r_fw,int n_r_fw,
- rvec *buf_s_bw,int n_s_bw,
- rvec *buf_r_bw,int n_r_bw)
+void dd_sendrecv2_rvec(const gmx_domdec_t gmx_unused *dd,
+ int gmx_unused ddimind,
+ rvec gmx_unused *buf_s_fw, int gmx_unused n_s_fw,
+ rvec gmx_unused *buf_r_fw, int gmx_unused n_r_fw,
+ rvec gmx_unused *buf_s_bw, int gmx_unused n_s_bw,
+ rvec gmx_unused *buf_r_bw, int gmx_unused n_r_bw)
{
#ifdef GMX_MPI
- int rank_fw,rank_bw,nreq;
+ int rank_fw, rank_bw, nreq;
MPI_Request req[4];
MPI_Status stat[4];
-
+
rank_fw = dd->neighbor[ddimind][0];
rank_bw = dd->neighbor[ddimind][1];
-
+
if (!dd->bSendRecv2)
{
/* Try to send and receive in two directions simultaneously.
nreq = 0;
if (n_r_fw)
{
- MPI_Irecv(buf_r_fw[0],n_r_fw*sizeof(rvec),MPI_BYTE,
- rank_bw,0,dd->mpi_comm_all,&req[nreq++]);
+ MPI_Irecv(buf_r_fw[0], n_r_fw*sizeof(rvec), MPI_BYTE,
+ rank_bw, 0, dd->mpi_comm_all, &req[nreq++]);
}
if (n_r_bw)
{
- MPI_Irecv(buf_r_bw[0],n_r_bw*sizeof(rvec),MPI_BYTE,
- rank_fw,1,dd->mpi_comm_all,&req[nreq++]);
+ MPI_Irecv(buf_r_bw[0], n_r_bw*sizeof(rvec), MPI_BYTE,
+ rank_fw, 1, dd->mpi_comm_all, &req[nreq++]);
}
if (n_s_fw)
{
- MPI_Isend(buf_s_fw[0],n_s_fw*sizeof(rvec),MPI_BYTE,
- rank_fw,0,dd->mpi_comm_all,&req[nreq++]);
+ MPI_Isend(buf_s_fw[0], n_s_fw*sizeof(rvec), MPI_BYTE,
+ rank_fw, 0, dd->mpi_comm_all, &req[nreq++]);
}
if (n_s_bw)
{
- MPI_Isend(buf_s_bw[0],n_s_bw*sizeof(rvec),MPI_BYTE,
- rank_bw,1,dd->mpi_comm_all,&req[nreq++]);
+ MPI_Isend(buf_s_bw[0], n_s_bw*sizeof(rvec), MPI_BYTE,
+ rank_bw, 1, dd->mpi_comm_all, &req[nreq++]);
}
if (nreq)
{
- MPI_Waitall(nreq,req,stat);
+ MPI_Waitall(nreq, req, stat);
}
}
else
* with a single full-duplex network connection per machine.
*/
/* Forward */
- MPI_Sendrecv(buf_s_fw[0],n_s_fw*sizeof(rvec),MPI_BYTE,rank_fw,0,
- buf_r_fw[0],n_r_fw*sizeof(rvec),MPI_BYTE,rank_bw,0,
- dd->mpi_comm_all,&stat[0]);
+ MPI_Sendrecv(buf_s_fw[0], n_s_fw*sizeof(rvec), MPI_BYTE, rank_fw, 0,
+ buf_r_fw[0], n_r_fw*sizeof(rvec), MPI_BYTE, rank_bw, 0,
+ dd->mpi_comm_all, &stat[0]);
/* Backward */
- MPI_Sendrecv(buf_s_bw[0],n_s_bw*sizeof(rvec),MPI_BYTE,rank_bw,0,
- buf_r_bw[0],n_r_bw*sizeof(rvec),MPI_BYTE,rank_fw,0,
- dd->mpi_comm_all,&stat[0]);
+ MPI_Sendrecv(buf_s_bw[0], n_s_bw*sizeof(rvec), MPI_BYTE, rank_bw, 0,
+ buf_r_bw[0], n_r_bw*sizeof(rvec), MPI_BYTE, rank_fw, 0,
+ dd->mpi_comm_all, &stat[0]);
}
#endif
}
* called during DD setup and partition.
*/
-void dd_bcast(gmx_domdec_t *dd,int nbytes,void *data)
+void dd_bcast(gmx_domdec_t gmx_unused *dd, int gmx_unused nbytes, void gmx_unused *data)
{
#ifdef GMX_MPI
#ifdef GMX_BLUEGENE
if (nbytes > 0)
{
#endif
- MPI_Bcast(data,nbytes,MPI_BYTE,
- DDMASTERRANK(dd),dd->mpi_comm_all);
+ MPI_Bcast(data, nbytes, MPI_BYTE,
+ DDMASTERRANK(dd), dd->mpi_comm_all);
#ifdef GMX_BLUEGENE
- }
+}
#endif
#endif
}
-void dd_bcastc(gmx_domdec_t *dd,int nbytes,void *src,void *dest)
+void dd_bcastc(gmx_domdec_t *dd, int nbytes, void *src, void *dest)
{
if (DDMASTER(dd))
{
- memcpy(dest,src,nbytes);
+ memcpy(dest, src, nbytes);
}
#ifdef GMX_MPI
#ifdef GMX_BLUEGENE
if (nbytes > 0)
{
#endif
- MPI_Bcast(dest,nbytes,MPI_BYTE,
- DDMASTERRANK(dd),dd->mpi_comm_all);
+ MPI_Bcast(dest, nbytes, MPI_BYTE,
+ DDMASTERRANK(dd), dd->mpi_comm_all);
#ifdef GMX_BLUEGENE
- }
+}
#endif
#endif
}
-void dd_scatter(gmx_domdec_t *dd,int nbytes,void *src,void *dest)
+void dd_scatter(gmx_domdec_t gmx_unused *dd, int gmx_unused nbytes, void gmx_unused *src, void gmx_unused *dest)
{
#ifdef GMX_MPI
- MPI_Scatter(src,nbytes,MPI_BYTE,
- dest,nbytes,MPI_BYTE,
- DDMASTERRANK(dd),dd->mpi_comm_all);
+ MPI_Scatter(src, nbytes, MPI_BYTE,
+ dest, nbytes, MPI_BYTE,
+ DDMASTERRANK(dd), dd->mpi_comm_all);
#endif
}
-void dd_gather(gmx_domdec_t *dd,int nbytes,void *src,void *dest)
+void dd_gather(gmx_domdec_t gmx_unused *dd, int gmx_unused nbytes, void gmx_unused *src, void gmx_unused *dest)
{
#ifdef GMX_MPI
- MPI_Gather(src,nbytes,MPI_BYTE,
- dest,nbytes,MPI_BYTE,
- DDMASTERRANK(dd),dd->mpi_comm_all);
+ MPI_Gather(src, nbytes, MPI_BYTE,
+ dest, nbytes, MPI_BYTE,
+ DDMASTERRANK(dd), dd->mpi_comm_all);
#endif
}
-void dd_scatterv(gmx_domdec_t *dd,
- int *scounts,int *disps,void *sbuf,
- int rcount,void *rbuf)
+void dd_scatterv(gmx_domdec_t gmx_unused *dd,
+ int gmx_unused *scounts, int gmx_unused *disps, void gmx_unused *sbuf,
+ int gmx_unused rcount, void gmx_unused *rbuf)
{
#ifdef GMX_MPI
int dum;
/* MPI does not allow NULL pointers */
rbuf = &dum;
}
- MPI_Scatterv(sbuf,scounts,disps,MPI_BYTE,
- rbuf,rcount,MPI_BYTE,
- DDMASTERRANK(dd),dd->mpi_comm_all);
+ MPI_Scatterv(sbuf, scounts, disps, MPI_BYTE,
+ rbuf, rcount, MPI_BYTE,
+ DDMASTERRANK(dd), dd->mpi_comm_all);
#endif
}
-void dd_gatherv(gmx_domdec_t *dd,
- int scount,void *sbuf,
- int *rcounts,int *disps,void *rbuf)
+void dd_gatherv(gmx_domdec_t gmx_unused *dd,
+ int gmx_unused scount, void gmx_unused *sbuf,
+ int gmx_unused *rcounts, int gmx_unused *disps, void gmx_unused *rbuf)
{
#ifdef GMX_MPI
int dum;
/* MPI does not allow NULL pointers */
sbuf = &dum;
}
- MPI_Gatherv(sbuf,scount,MPI_BYTE,
- rbuf,rcounts,disps,MPI_BYTE,
- DDMASTERRANK(dd),dd->mpi_comm_all);
+ MPI_Gatherv(sbuf, scount, MPI_BYTE,
+ rbuf, rcounts, disps, MPI_BYTE,
+ DDMASTERRANK(dd), dd->mpi_comm_all);
#endif
}
-
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff