2 * This file is part of the GROMACS molecular simulation package.
4 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
5 * Copyright (c) 2001-2004, The GROMACS development team.
6 * Copyright (c) 2013,2014, by the GROMACS development team, led by
7 * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
8 * and including many others, as listed in the AUTHORS file in the
9 * top-level source directory and at http://www.gromacs.org.
11 * GROMACS is free software; you can redistribute it and/or
12 * modify it under the terms of the GNU Lesser General Public License
13 * as published by the Free Software Foundation; either version 2.1
14 * of the License, or (at your option) any later version.
16 * GROMACS is distributed in the hope that it will be useful,
17 * but WITHOUT ANY WARRANTY; without even the implied warranty of
18 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
19 * Lesser General Public License for more details.
21 * You should have received a copy of the GNU Lesser General Public
22 * License along with GROMACS; if not, see
23 * http://www.gnu.org/licenses, or write to the Free Software Foundation,
24 * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
26 * If you want to redistribute modifications to GROMACS, please
27 * consider that scientific software is very special. Version
28 * control is crucial - bugs must be traceable. We will be happy to
29 * consider code for inclusion in the official distribution, but
30 * derived work must not be called official GROMACS. Details are found
31 * in the README & COPYING files - if they are missing, get the
32 * official version at http://www.gromacs.org.
34 * To help us fund GROMACS development, we humbly ask that you cite
35 * the research papers on the package. Check out http://www.gromacs.org.
45 #include "../fileio/filenm.h"
51 int gmx_gethostname(char *name, size_t len);
52 /* Sets the hostname to the value given by gethostname, if available,
53 * and to "unknown" otherwise. name should have at least size len.
54 * Returns 0 on success, -1 on error.
57 void gmx_log_open(const char *fn, const t_commrec *cr,
58 gmx_bool bMasterOnly, gmx_bool bAppendFiles, FILE**);
59 /* Open the log file, if necessary (nprocs > 1) the logfile name is
60 * communicated around the ring.
63 void gmx_log_close(FILE *fp);
64 /* Close the log file */
66 void check_multi_int(FILE *log, const gmx_multisim_t *ms,
67 int val, const char *name,
69 void check_multi_int64(FILE *log, const gmx_multisim_t *ms,
70 gmx_int64_t val, const char *name,
72 /* Check if val is the same on all processors for a mdrun -multi run
73 * The string name is used to print to the log file and in a fatal error
74 * if the val's don't match. If bQuiet is true and the check passes,
75 * no output is written.
78 void init_multisystem(t_commrec *cr, int nsim, char **multidirs,
79 int nfile, const t_filenm fnm[], gmx_bool bParFn);
80 /* Splits the communication into nsim separate simulations
81 * and creates a communication structure between the master
83 * If bParFn is set, the nodeid is appended to the tpx and each output file.