Manually sort some includes in src/gromacs

[alexxy/gromacs.git] / src / gromacs / timing / walltime_accounting.c

diff --git a/src/gromacs/timing/walltime_accounting.c b/src/gromacs/timing/walltime_accounting.c
index 20e976c0d88c02f563e5868b1aed1b060691b64d..d7c711127f606dddf1751301799992fe50c16d34 100644 (file)
--- a/src/gromacs/timing/walltime_accounting.c
+++ b/src/gromacs/timing/walltime_accounting.c
@@ -1,46 +1,46 @@
 /*
+ * This file is part of the GROMACS molecular simulation package.
  *
- *                This source code is part of
+ * Copyright (c) 2013, The GROMACS development team.
+ * Copyright (c) 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.
  *
- *                 G   R   O   M   A   C   S
- *
- *          GROningen MAchine for Chemical Simulations
- *
- *                        VERSION 3.2.0
- * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
- * Copyright (c) 2013, The GROMACS development team,
- * check out http://www.gromacs.org for more information.
-
- * 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.
  *
- * If you want to redistribute modifications, please consider that
- * scientific software is very special. Version 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 www.gromacs.org.
+ * 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.
  *
- * To help us fund GROMACS development, we humbly ask that you cite
- * the papers on the package - you can find them in the top README file.
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
  *
- * For more info, check our website at http://www.gromacs.org
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * 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.
  *
- * And Hey:
- * GROwing Monsters And Cloning Shrimps
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
  */
-#include "gromacs/timing/walltime_accounting.h"
+#include "gmxpre.h"
 
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
-
-#include "gromacs/legacyheaders/smalloc.h"
-#include "gromacs/legacyheaders/types/simple.h"
+#include "walltime_accounting.h"
 
 #include <time.h>
+
+#include "config.h"
+
 #ifdef HAVE_UNISTD_H
 #include <unistd.h>
 #endif
@@ -48,6 +48,9 @@
 #include <sys/time.h>
 #endif
 
+#include "gromacs/utility/basedefinitions.h"
+#include "gromacs/utility/smalloc.h"
+
 /* TODO in future: convert gmx_walltime_accounting to a class,
  * resolve who should have responsibility for recording the number of
  * steps done, consider whether parts of finish_time, print_perf,
@@ -80,7 +83,7 @@ typedef struct gmx_walltime_accounting {
      * with respect to parallelism implementation. */
     int             numOpenMPThreads;
     //! Set by integrators to report the amount of work they did
-    gmx_large_int_t nsteps_done;
+    gmx_int64_t     nsteps_done;
 } t_gmx_walltime_accounting;
 
 /*! \brief Calls system timing routines (e.g. clock_gettime) to get
@@ -182,7 +185,7 @@ walltime_accounting_get_nsteps_done(gmx_walltime_accounting_t walltime_accountin
 
 void
 walltime_accounting_set_nsteps_done(gmx_walltime_accounting_t   walltime_accounting,
-                                    gmx_large_int_t             nsteps_done)
+                                    gmx_int64_t                 nsteps_done)
 {
     walltime_accounting->nsteps_done = nsteps_done;
 }