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) 2013,2014,2015,2016,2017 by the GROMACS development team.
7 * Copyright (c) 2018,2019,2020, by the GROMACS development team, led by
8 * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
9 * and including many others, as listed in the AUTHORS file in the
10 * top-level source directory and at http://www.gromacs.org.
12 * GROMACS is free software; you can redistribute it and/or
13 * modify it under the terms of the GNU Lesser General Public License
14 * as published by the Free Software Foundation; either version 2.1
15 * of the License, or (at your option) any later version.
17 * GROMACS is distributed in the hope that it will be useful,
18 * but WITHOUT ANY WARRANTY; without even the implied warranty of
19 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
20 * Lesser General Public License for more details.
22 * You should have received a copy of the GNU Lesser General Public
23 * License along with GROMACS; if not, see
24 * http://www.gnu.org/licenses, or write to the Free Software Foundation,
25 * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
27 * If you want to redistribute modifications to GROMACS, please
28 * consider that scientific software is very special. Version
29 * control is crucial - bugs must be traceable. We will be happy to
30 * consider code for inclusion in the official distribution, but
31 * derived work must not be called official GROMACS. Details are found
32 * in the README & COPYING files - if they are missing, get the
33 * official version at http://www.gromacs.org.
35 * To help us fund GROMACS development, we humbly ask that you cite
36 * the research papers on the package. Check out http://www.gromacs.org.
54 #include "thread_mpi/threads.h"
56 #include "gromacs/utility/alignedallocator.h"
57 #include "gromacs/utility/dir_separator.h"
58 #include "gromacs/utility/fatalerror.h"
60 # include "gromacs/utility/basenetwork.h"
61 # include "gromacs/utility/gmxmpi.h"
64 static gmx_bool g_bOverAllocDD
= FALSE
;
65 static tMPI_Thread_mutex_t g_over_alloc_mutex
= TMPI_THREAD_MUTEX_INITIALIZER
;
67 void* save_malloc(const char* name
, const char* file
, int line
, size_t size
)
78 if ((p
= malloc(size
)) == nullptr)
80 gmx_fatal(errno
, __FILE__
, __LINE__
,
81 "Not enough memory. Failed to malloc %" PRId64
83 "(called from file %s, line %d)",
84 static_cast<int64_t>(size
), name
, file
, line
);
86 (void)memset(p
, 0, size
);
91 void* save_calloc(const char* name
, const char* file
, int line
, size_t nelem
, size_t elsize
)
96 if ((nelem
== 0) || (elsize
== 0))
102 #ifdef PRINT_ALLOC_KB
103 if (nelem
* elsize
>= PRINT_ALLOC_KB
* 1024)
105 int rank
= gmx_node_rank();
106 printf("Allocating %.1f MB for %s (called from file %s, line %d on %d)\n",
107 nelem
* elsize
/ 1048576.0, name
, file
, line
, rank
);
110 #if GMX_BROKEN_CALLOC
111 /* emulate calloc(3) with malloc/memset on machines with
112 a broken calloc, e.g. in -lgmalloc on cray xt3. */
113 if ((p
= malloc((size_t)nelem
* (size_t)elsize
)) == NULL
)
115 gmx_fatal(errno
, __FILE__
, __LINE__
,
116 "Not enough memory. Failed to calloc %" PRId64
" elements of size %" PRId64
117 " for %s\n(called from file %s, line %d)",
118 (int64_t)nelem
, (int64_t)elsize
, name
, file
, line
);
120 memset(p
, 0, (size_t)(nelem
* elsize
));
122 if ((p
= calloc(nelem
, elsize
)) == nullptr)
124 gmx_fatal(errno
, __FILE__
, __LINE__
,
125 "Not enough memory. Failed to calloc %" PRId64
" elements of size %" PRId64
126 " for %s\n(called from file %s, line %d)",
127 static_cast<int64_t>(nelem
), static_cast<int64_t>(elsize
), name
, file
, line
);
134 void* save_realloc(const char* name
, const char* file
, int line
, void* ptr
, size_t nelem
, size_t elsize
)
137 size_t size
= nelem
* elsize
;
142 save_free(name
, file
, line
, ptr
);
146 #ifdef PRINT_ALLOC_KB
147 if (size
>= PRINT_ALLOC_KB
* 1024)
149 int rank
= gmx_node_rank();
150 printf("Reallocating %.1f MB for %s (called from file %s, line %d on %d)\n",
151 size
/ 1048576.0, name
, file
, line
, rank
);
160 p
= realloc(ptr
, size
);
164 gmx_fatal(errno
, __FILE__
, __LINE__
,
165 "Not enough memory. Failed to realloc %zu bytes for %s, %s=%p\n"
166 "(called from file %s, line %d)",
167 size
, name
, name
, ptr
, file
, line
);
173 void save_free(const char gmx_unused
* name
, const char gmx_unused
* file
, int gmx_unused line
, void* ptr
)
181 /* Pointers allocated with this routine should only be freed
182 * with save_free_aligned, however this will only matter
183 * on systems that lack posix_memalign() and memalign() when
184 * freeing memory that needed to be adjusted to achieve
185 * the necessary alignment. */
186 void* save_malloc_aligned(const char* name
, const char* file
, int line
, size_t nelem
, size_t elsize
, size_t alignment
)
192 gmx_fatal(errno
, __FILE__
, __LINE__
,
193 "Cannot allocate aligned memory with alignment of zero!\n(called from file %s, "
198 size_t alignmentSize
= gmx::AlignedAllocationPolicy::alignment();
199 if (alignment
> alignmentSize
)
201 gmx_fatal(errno
, __FILE__
, __LINE__
,
202 "Cannot allocate aligned memory with alignment > %zu bytes\n(called from file "
204 alignmentSize
, file
, line
);
208 if (nelem
== 0 || elsize
== 0)
214 #ifdef PRINT_ALLOC_KB
215 if (nelem
* elsize
>= PRINT_ALLOC_KB
* 1024)
217 int rank
= gmx_node_rank();
218 printf("Allocating %.1f MB for %s (called from file %s, line %d on %d)\n",
219 nelem
* elsize
/ 1048576.0, name
, file
, line
, rank
);
223 p
= gmx::AlignedAllocationPolicy::malloc(nelem
* elsize
);
227 gmx_fatal(errno
, __FILE__
, __LINE__
,
228 "Not enough memory. Failed to allocate %zu aligned elements of size %zu for "
229 "%s\n(called from file %s, line %d)",
230 nelem
, elsize
, name
, file
, line
);
236 void* save_calloc_aligned(const char* name
, const char* file
, int line
, size_t nelem
, size_t elsize
, size_t alignment
)
238 void* aligned
= save_malloc_aligned(name
, file
, line
, nelem
, elsize
, alignment
);
239 if (aligned
!= nullptr)
241 memset(aligned
, 0, static_cast<size_t>(nelem
* elsize
));
246 /* This routine can NOT be called with any pointer */
247 void save_free_aligned(const char gmx_unused
* name
, const char gmx_unused
* file
, int gmx_unused line
, void* ptr
)
249 gmx::AlignedAllocationPolicy::free(ptr
);
252 void set_over_alloc_dd(gmx_bool set
)
254 tMPI_Thread_mutex_lock(&g_over_alloc_mutex
);
255 /* we just make sure that we don't set this at the same time.
256 We don't worry too much about reading this rarely-set variable */
257 g_bOverAllocDD
= set
;
258 tMPI_Thread_mutex_unlock(&g_over_alloc_mutex
);
261 int over_alloc_dd(int n
)
265 return static_cast<int>(OVER_ALLOC_FAC
* n
+ 100);