/usr/include/liggghts/memory.h is in libliggghts-dev 2.3.8-1build1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 | /* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef LMP_MEMORY_H
#define LMP_MEMORY_H
#include "lmptype.h"
#include "pointers.h"
namespace LAMMPS_NS {
class Memory : protected Pointers {
public:
Memory(class LAMMPS *);
void *smalloc(bigint n, const char *);
void *srealloc(void *, bigint n, const char *);
void sfree(void *);
void fail(const char *);
/* ----------------------------------------------------------------------
create/grow/destroy vecs and multidim arrays with contiguous memory blocks
only use with primitive data types, e.g. 1d vec of ints, 2d array of doubles
cannot use with pointers, e.g. 1d vec of int*, due to mismatched destroy
avoid use with non-primitive data types to avoid code bloat
for these other cases, use smalloc/srealloc/sfree directly
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
create a 1d array
------------------------------------------------------------------------- */
template <typename TYPE>
TYPE *create(TYPE *&array, int n, const char *name)
{
bigint nbytes = ((bigint) sizeof(TYPE)) * n;
array = (TYPE *) smalloc(nbytes,name);
return array;
}
template <typename TYPE>
TYPE **create(TYPE **&array, int n, const char *name) {fail(name);}
/* ----------------------------------------------------------------------
grow or shrink 1d array
------------------------------------------------------------------------- */
template <typename TYPE>
TYPE *grow(TYPE *&array, int n, const char *name)
{
if (array == NULL) return create(array,n,name);
bigint nbytes = ((bigint) sizeof(TYPE)) * n;
array = (TYPE *) srealloc(array,nbytes,name);
return array;
}
template <typename TYPE>
TYPE **grow(TYPE **&array, int n, const char *name) {fail(name);}
/* ----------------------------------------------------------------------
destroy a 1d array
------------------------------------------------------------------------- */
template <typename TYPE>
void destroy(TYPE *array)
{
sfree(array);
}
/* ----------------------------------------------------------------------
create a 1d array with index from nlo to nhi inclusive
cannot grow it
------------------------------------------------------------------------- */
template <typename TYPE>
TYPE *create1d_offset(TYPE *&array, int nlo, int nhi, const char *name)
{
bigint nbytes = ((bigint) sizeof(TYPE)) * (nhi-nlo+1);
array = (TYPE *) smalloc(nbytes,name);
array -= nlo;
return array;
}
template <typename TYPE>
TYPE **create1d_offset(TYPE **&array, int nlo, int nhi, const char *name)
{fail(name);}
/* ----------------------------------------------------------------------
destroy a 1d array with index offset
------------------------------------------------------------------------- */
template <typename TYPE>
void destroy1d_offset(TYPE *array, int offset)
{
if (array) sfree(&array[offset]);
}
/* ----------------------------------------------------------------------
create a 2d array
------------------------------------------------------------------------- */
template <typename TYPE>
TYPE **create(TYPE **&array, int n1, int n2, const char *name)
{
bigint nbytes = ((bigint) sizeof(TYPE)) * n1*n2;
TYPE *data = (TYPE *) smalloc(nbytes,name);
nbytes = ((bigint) sizeof(TYPE *)) * n1;
array = (TYPE **) smalloc(nbytes,name);
bigint n = 0;
for (int i = 0; i < n1; i++) {
array[i] = &data[n];
n += n2;
}
return array;
}
template <typename TYPE>
TYPE ***create(TYPE ***&array, int n1, int n2, const char *name)
{fail(name);}
/* ----------------------------------------------------------------------
grow or shrink 1st dim of a 2d array
last dim must stay the same
------------------------------------------------------------------------- */
template <typename TYPE>
TYPE **grow(TYPE **&array, int n1, int n2, const char *name)
{
if (array == NULL) return create(array,n1,n2,name);
bigint nbytes = ((bigint) sizeof(TYPE)) * n1*n2;
TYPE *data = (TYPE *) srealloc(array[0],nbytes,name);
nbytes = ((bigint) sizeof(TYPE *)) * n1;
array = (TYPE **) srealloc(array,nbytes,name);
bigint n = 0;
for (int i = 0; i < n1; i++) {
array[i] = &data[n];
n += n2;
}
return array;
}
template <typename TYPE>
TYPE ***grow(TYPE ***&array, int n1, int n2, const char *name)
{fail(name);}
/* ----------------------------------------------------------------------
destroy a 2d array
------------------------------------------------------------------------- */
template <typename TYPE>
void destroy(TYPE **array)
{
if (array == NULL) return;
sfree(array[0]);
sfree(array);
}
/* ----------------------------------------------------------------------
create a 2d array with a ragged 2nd dimension
------------------------------------------------------------------------- */
template <typename TYPE>
TYPE **create_ragged(TYPE **&array, int n1, int *n2, const char *name)
{
bigint n2sum = 0;
for (int i = 0; i < n1; i++) n2sum += n2[i];
bigint nbytes = ((bigint) sizeof(TYPE)) * n2sum;
TYPE *data = (TYPE *) smalloc(nbytes,name);
nbytes = ((bigint) sizeof(TYPE *)) * n1;
array = (TYPE **) smalloc(nbytes,name);
bigint n = 0;
for (int i = 0; i < n1; i++) {
array[i] = &data[n];
n += n2[i];
}
return array;
}
template <typename TYPE>
TYPE ***create_ragged(TYPE ***&array, int n1, int *n2, const char *name)
{fail(name);}
/* ----------------------------------------------------------------------
create a 2d array with 2nd index from n2lo to n2hi inclusive
cannot grow it
------------------------------------------------------------------------- */
template <typename TYPE>
TYPE **create2d_offset(TYPE **&array, int n1, int n2lo, int n2hi,
const char *name)
{
int n2 = n2hi - n2lo + 1;
create(array,n1,n2,name);
for (int i = 0; i < n1; i++) array[i] -= n2lo;
return array;
}
template <typename TYPE>
TYPE ***create2d_offset(TYPE ***&array, int n1, int n2lo, int n2hi,
const char *name) {fail(name);}
/* ----------------------------------------------------------------------
destroy a 2d array with 2nd index offset
------------------------------------------------------------------------- */
template <typename TYPE>
void destroy2d_offset(TYPE **array, int offset)
{
if (array == NULL) return;
sfree(&array[0][offset]);
sfree(array);
}
/* ----------------------------------------------------------------------
create a 3d array
------------------------------------------------------------------------- */
template <typename TYPE>
TYPE ***create(TYPE ***&array, int n1, int n2, int n3, const char *name)
{
bigint nbytes = ((bigint) sizeof(TYPE)) * n1*n2*n3;
TYPE *data = (TYPE *) smalloc(nbytes,name);
nbytes = ((bigint) sizeof(TYPE *)) * n1*n2;
TYPE **plane = (TYPE **) smalloc(nbytes,name);
nbytes = ((bigint) sizeof(TYPE **)) * n1;
array = (TYPE ***) smalloc(nbytes,name);
int i,j;
bigint m;
bigint n = 0;
for (i = 0; i < n1; i++) {
m = ((bigint) i) * n2;
array[i] = &plane[m];
for (j = 0; j < n2; j++) {
plane[m+j] = &data[n];
n += n3;
}
}
return array;
}
template <typename TYPE>
TYPE ****create(TYPE ****&array, int n1, int n2, int n3, const char *name)
{fail(name);}
/* ----------------------------------------------------------------------
grow or shrink 1st dim of a 3d array
last 2 dims must stay the same
------------------------------------------------------------------------- */
template <typename TYPE>
TYPE ***grow(TYPE ***&array, int n1, int n2, int n3, const char *name)
{
if (array == NULL) return create(array,n1,n2,n3,name);
bigint nbytes = ((bigint) sizeof(TYPE)) * n1*n2*n3;
TYPE *data = (TYPE *) srealloc(array[0][0],nbytes,name);
nbytes = ((bigint) sizeof(TYPE *)) * n1*n2;
TYPE **plane = (TYPE **) srealloc(array[0],nbytes,name);
nbytes = ((bigint) sizeof(TYPE **)) * n1;
array = (TYPE ***) srealloc(array,nbytes,name);
int i,j;
bigint m;
bigint n = 0;
for (i = 0; i < n1; i++) {
m = ((bigint) i) * n2;
array[i] = &plane[m];
for (j = 0; j < n2; j++) {
plane[m+j] = &data[n];
n += n3;
}
}
return array;
}
template <typename TYPE>
TYPE ****grow(TYPE ****&array, int n1, int n2, int n3, const char *name)
{fail(name);}
/* ----------------------------------------------------------------------
destroy a 3d array
------------------------------------------------------------------------- */
template <typename TYPE>
void destroy(TYPE ***array)
{
if (array == NULL) return;
sfree(array[0][0]);
sfree(array[0]);
sfree(array);
}
/* ----------------------------------------------------------------------
create a 3d array with 1st index from n1lo to n1hi inclusive
cannot grow it
------------------------------------------------------------------------- */
template <typename TYPE>
TYPE ***create3d_offset(TYPE ***&array, int n1lo, int n1hi,
int n2, int n3, const char *name)
{
int n1 = n1hi - n1lo + 1;
create(array,n1,n2,n3,name);
array -= n1lo;
return array;
}
template <typename TYPE>
TYPE ****create3d_offset(TYPE ****&array, int n1lo, int n1hi,
int n2, int n3, const char *name)
{fail(name);}
/* ----------------------------------------------------------------------
free a 3d array with 1st index offset
------------------------------------------------------------------------- */
template <typename TYPE>
void destroy3d_offset(TYPE ***array, int offset)
{
if (array) destroy(&array[offset]);
}
/* ----------------------------------------------------------------------
create a 3d array with
1st index from n1lo to n1hi inclusive,
2nd index from n2lo to n2hi inclusive,
3rd index from n3lo to n3hi inclusive
cannot grow it
------------------------------------------------------------------------- */
template <typename TYPE>
TYPE ***create3d_offset(TYPE ***&array, int n1lo, int n1hi,
int n2lo, int n2hi, int n3lo, int n3hi,
const char *name)
{
int n1 = n1hi - n1lo + 1;
int n2 = n2hi - n2lo + 1;
int n3 = n3hi - n3lo + 1;
create(array,n1,n2,n3,name);
bigint m = ((bigint) n1) * n2;
for (bigint i = 0; i < m; i++) array[0][i] -= n3lo;
for (int i = 0; i < n1; i++) array[i] -= n2lo;
array -= n1lo;
return array;
}
template <typename TYPE>
TYPE ****create3d_offset(TYPE ****&array, int n1lo, int n1hi,
int n2lo, int n2hi, int n3lo, int n3hi,
const char *name)
{fail(name);}
/* ----------------------------------------------------------------------
free a 3d array with all 3 indices offset
------------------------------------------------------------------------- */
template <typename TYPE>
void destroy3d_offset(TYPE ***array,
int n1_offset, int n2_offset, int n3_offset)
{
if (array == NULL) return;
sfree(&array[n1_offset][n2_offset][n3_offset]);
sfree(&array[n1_offset][n2_offset]);
sfree(&array[n1_offset]);
}
/* ----------------------------------------------------------------------
create a 4d array
------------------------------------------------------------------------- */
template <typename TYPE>
TYPE ****create(TYPE ****&array, int n1, int n2, int n3, int n4,
const char *name)
{
bigint nbytes = ((bigint) sizeof(TYPE)) * n1*n2*n3*n4;
TYPE *data = (TYPE *) smalloc(nbytes,name);
nbytes = ((bigint) sizeof(TYPE *)) * n1*n2*n3;
TYPE **cube = (TYPE **) smalloc(nbytes,name);
nbytes = ((bigint) sizeof(TYPE **)) * n1*n2;
TYPE ***plane = (TYPE ***) smalloc(nbytes,name);
nbytes = ((bigint) sizeof(TYPE ***)) * n1;
array = (TYPE ****) smalloc(nbytes,name);
int i,j,k;
bigint m1,m2,m3;
bigint n = 0;
for (i = 0; i < n1; i++) {
m2 = ((bigint) i) * n2;
array[i] = &plane[m2];
for (j = 0; j < n2; j++) {
m1 = ((bigint) i) * n2 + j;
m2 = ((bigint) i) * n2*n3 + j*n3;
plane[m1] = &cube[m2];
for (k = 0; k < n3; k++) {
m1 = ((bigint) i) * n2*n3 + j*n3 + k;
cube[m1] = &data[n];
n += n4;
}
}
}
return array;
}
template <typename TYPE>
TYPE *****create(TYPE *****&array, int n1, int n2, int n3, int n4,
const char *name)
{fail(name);}
/* ----------------------------------------------------------------------
destroy a 4d array
------------------------------------------------------------------------- */
template <typename TYPE>
void destroy(TYPE ****array)
{
if (array == NULL) return;
sfree(array[0][0][0]);
sfree(array[0][0]);
sfree(array[0]);
sfree(array);
}
/* ----------------------------------------------------------------------
create a 5d array
------------------------------------------------------------------------- */
template <typename TYPE>
TYPE *****create(TYPE *****&array, int n1, int n2, int n3, int n4,
int n5, const char *name)
{
bigint nbytes = ((bigint) sizeof(TYPE)) * n1*n2*n3*n4*n5;
TYPE *data = (TYPE *) smalloc(nbytes,name);
nbytes = ((bigint) sizeof(TYPE *)) * n1*n2*n3*n4;
TYPE **level4 = (TYPE **) smalloc(nbytes,name);
nbytes = ((bigint) sizeof(TYPE **)) * n1*n2*n3;
TYPE ***level3 = (TYPE ***) smalloc(nbytes,name);
nbytes = ((bigint) sizeof(TYPE ***)) * n1*n2;
TYPE ****level2 = (TYPE ****) smalloc(nbytes,name);
nbytes = ((bigint) sizeof(TYPE ****)) * n1;
array = (TYPE *****) smalloc(nbytes,name);
int i,j,k,l;
bigint m1,m2,m3,m4,m5;
bigint n = 0;
for (i = 0; i < n1; i++) {
m2 = ((bigint) i) * n2;
array[i] = &level2[m2];
for (j = 0; j < n2; j++) {
m1 = ((bigint) i) * n2 + j;
m2 = ((bigint) i) * n2*n3 + ((bigint) j) * n3;
level2[m1] = &level3[m2];
for (k = 0; k < n3; k++) {
m1 = ((bigint) i) * n2*n3 + ((bigint) j) * n3 + k;
m2 = ((bigint) i) * n2*n3*n4 +
((bigint) j) * n3*n4 + ((bigint) k) * n4;
level3[m1] = &level4[m2];
for (l = 0; l < n4; l++) {
m1 = ((bigint) i) * n2*n3*n4 +
((bigint) j) * n3*n4 + ((bigint) k) * n4 + l;
level4[m1] = &data[n];
n += n5;
}
}
}
}
return array;
}
template <typename TYPE>
TYPE ******create(TYPE ******&array, int n1, int n2, int n3, int n4,
int n5, const char *name)
{fail(name);}
/* ----------------------------------------------------------------------
destroy a 5d array
------------------------------------------------------------------------- */
template <typename TYPE>
void destroy(TYPE *****array)
{
if (array == NULL) return;
sfree(array[0][0][0][0]);
sfree(array[0][0][0]);
sfree(array[0][0]);
sfree(array[0]);
sfree(array);
}
/* ----------------------------------------------------------------------
memory usage of arrays, including pointers
------------------------------------------------------------------------- */
template <typename TYPE>
bigint usage(TYPE *array, int n)
{
bigint bytes = ((bigint) sizeof(TYPE)) * n;
return bytes;
}
template <typename TYPE>
bigint usage(TYPE **array, int n1, int n2)
{
bigint bytes = ((bigint) sizeof(TYPE)) * n1*n2;
bytes += ((bigint) sizeof(TYPE *)) * n1;
return bytes;
}
template <typename TYPE>
bigint usage(TYPE ***array, int n1, int n2, int n3)
{
bigint bytes = ((bigint) sizeof(TYPE)) * n1*n2*n3;
bytes += ((bigint) sizeof(TYPE *)) * n1*n2;
bytes += ((bigint) sizeof(TYPE **)) * n1;
return bytes;
}
template <typename TYPE>
bigint usage(TYPE ****array, int n1, int n2, int n3, int n4)
{
bigint bytes = ((bigint) sizeof(TYPE)) * n1*n2*n3*n4;
bytes += ((bigint) sizeof(TYPE *)) * n1*n2*n3;
bytes += ((bigint) sizeof(TYPE **)) * n1*n2;
bytes += ((bigint) sizeof(TYPE ***)) * n1;
return bytes;
}
};
}
#endif
/* ERROR/WARNING messages:
E: Failed to allocate %ld bytes for array %s
Your LAMMPS simulation has run out of memory. You need to run a
smaller simulation or on more processors.
E: Failed to reallocate %ld bytes for array %s
Your LAMMPS simulation has run out of memory. You need to run a
smaller simulation or on more processors.
E: Cannot create/grow a vector/array of pointers for %s
LAMMPS code is making an illegal call to the templated memory
allocaters, to create a vector or array of pointers.
*/
|