*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017 by the GROMACS development team.
+ * 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.
#include "gromacs/utility/stringutil.h"
#include "gromacs/utility/unique_cptr.h"
-struct gmx_multisim_t;
struct t_commrec;
struct t_filenm;
using CommrecHandle = gmx::unique_cptr<t_commrec, done_commrec>;
//! Allocate, initialize and return the commrec.
-CommrecHandle init_commrec(MPI_Comm communicator, const gmx_multisim_t* ms);
+CommrecHandle init_commrec(MPI_Comm communicator);
struct t_commrec* reinitialize_commrec_for_this_thread(const t_commrec* cro);
void gmx_setup_nodecomm(FILE* fplog, struct t_commrec* cr);
/* Sets up fast global communication for clusters with multi-core nodes */
-void gmx_barrier(const struct t_commrec* cr);
-/* Wait till all processes in cr->mpi_comm_mygroup have reached the barrier */
+//! Wait until all processes in communicator have reached the barrier
+void gmx_barrier(MPI_Comm communicator);
-void gmx_bcast(int nbytes, void* b, const struct t_commrec* cr);
-/* Broadcast nbytes bytes from the master to cr->mpi_comm_mygroup */
-
-void gmx_bcast_sim(int nbytes, void* b, const struct t_commrec* cr);
-/* Broadcast nbytes bytes from the sim master to cr->mpi_comm_mysim */
+/*! 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
* for all processes.
*/
-//! Make a barrier across all ranks of this simulation
-void simulationBarrier(const t_commrec* cr);
-
#endif