void gmx_bcast(int gmx_unused nbytes, void gmx_unused* b, MPI_Comm gmx_unused communicator)
{
-#if !GMX_MPI
- GMX_RELEASE_ASSERT(false, "Invalid call to gmx_bcast");
-#else
+ // Without MPI we have a single rank, so bcast is a no-op
+#if GMX_MPI
MPI_Bcast(b, nbytes, MPI_BYTE, 0, communicator);
#endif
}
void gmx_sumd(int gmx_unused nr, double gmx_unused r[], const t_commrec gmx_unused* cr)
{
+ // Without MPI we have a single rank, so sum is a no-op
+#if GMX_MPI
if (cr->sizeOfMyGroupCommunicator == 1)
{
return;
}
-#if !GMX_MPI
- GMX_RELEASE_ASSERT(false, "Invalid call to gmx_sumd");
-#else
if (cr->nc.bUse)
{
if (cr->nc.rank_intra == 0)
void gmx_sumf(int gmx_unused nr, float gmx_unused r[], const t_commrec gmx_unused* cr)
{
+ // Without MPI we have a single rank, so sum is a no-op
+#if GMX_MPI
if (cr->sizeOfMyGroupCommunicator == 1)
{
return;
}
-#if !GMX_MPI
- GMX_RELEASE_ASSERT(false, "Invalid call to gmx_sumf");
-#else
if (cr->nc.bUse)
{
/* Use two step summing. */
void gmx_sumi(int gmx_unused nr, int gmx_unused r[], const t_commrec gmx_unused* cr)
{
+ // Without MPI we have a single rank, so sum is a no-op
+#if GMX_MPI
if (cr->sizeOfMyGroupCommunicator == 1)
{
return;
}
-#if !GMX_MPI
- GMX_RELEASE_ASSERT(false, "Invalid call to gmx_sumi");
-#else
if (cr->nc.bUse)
{
/* Use two step summing */
#endif
}
-void gmx_sumli(int gmx_unused nr, int64_t gmx_unused r[], const t_commrec gmx_unused* cr)
-{
-#if !GMX_MPI
- GMX_RELEASE_ASSERT(false, "Invalid call to gmx_sumli");
-#else
- if (cr->nc.bUse)
- {
- /* Use two step summing */
- if (cr->nc.rank_intra == 0)
- {
- MPI_Reduce(MPI_IN_PLACE, r, nr, MPI_INT64_T, MPI_SUM, 0, cr->nc.comm_intra);
- /* Sum with the buffers reversed */
- MPI_Allreduce(MPI_IN_PLACE, r, nr, MPI_INT64_T, MPI_SUM, cr->nc.comm_inter);
- }
- else
- {
- /* This is here because of the silly MPI specification
- that MPI_IN_PLACE should be put in sendbuf instead of recvbuf */
- MPI_Reduce(r, nullptr, nr, MPI_INT64_T, MPI_SUM, 0, cr->nc.comm_intra);
- }
- MPI_Bcast(r, nr, MPI_INT64_T, 0, cr->nc.comm_intra);
- }
- else
- {
- MPI_Allreduce(MPI_IN_PLACE, r, nr, MPI_INT64_T, MPI_SUM, cr->mpi_comm_mygroup);
- }
-#endif
-}
-
const char* opt2fn_master(const char* opt, int nfile, const t_filenm fnm[], t_commrec* cr)
{
return SIMMASTER(cr) ? opt2fn(opt, nfile, fnm) : nullptr;
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
* Copyright (c) 2013,2014,2015,2016,2017 by the GROMACS development team.
- * Copyright (c) 2018,2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2018,2019,2020,2021, 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.
//! Wait until all processes in communicator have reached the barrier
void gmx_barrier(MPI_Comm communicator);
-//! Broadcast nbytes bytes from the master to communicator
+/*! Broadcast nbytes bytes from the master to communicator
+ *
+ * Can be called with a single rank or without MPI
+ */
void gmx_bcast(int nbytes, void* b, MPI_Comm communicator);
+/*! Calculate the global sum of an array of ints
+ *
+ * Can be called with a single rank or without MPI
+ */
void gmx_sumi(int nr, int r[], const struct t_commrec* cr);
-/* Calculate the global sum of an array of ints */
-
-void gmx_sumli(int nr, int64_t r[], const struct t_commrec* cr);
-/* Calculate the global sum of an array of large ints */
+/*! Calculate the global sum of an array of floats
+ *
+ * Can be called with a single rank or without MPI
+ */
void gmx_sumf(int nr, float r[], const struct t_commrec* cr);
-/* Calculate the global sum of an array of floats */
+/*! Calculate the global sum of an array of doubles
+ *
+ * Can be called with a single rank or without MPI
+ */
void gmx_sumd(int nr, double r[], const struct t_commrec* cr);
-/* Calculate the global sum of an array of doubles */
#if GMX_DOUBLE
# define gmx_sum gmx_sumd