Sanchayan Maity
2fcc51c2c1
While at it also add the libpthread static library amd m5op_x86 for matrix multiplication test code as well. Note that the splash2 benchmark code does not comply with gem5 coding guidelines. Academic guys never seem to follow 80 columns and no whitespace guideline :(.
104 lines
3.9 KiB
C
104 lines
3.9 KiB
C
/*************************************************************************/
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/* */
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/* Copyright (c) 1994 Stanford University */
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/* */
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/* All rights reserved. */
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/* */
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/* Permission is given to use, copy, and modify this software for any */
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/* non-commercial purpose as long as this copyright notice is not */
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/* removed. All other uses, including redistribution in whole or in */
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/* part, are forbidden without prior written permission. */
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/* */
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/* This software is provided with absolutely no warranty and no */
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/* support. */
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/* */
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/*************************************************************************/
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EXTERN_ENV
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#include <cstdio>
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#include "global.h"
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#include "mddata.h"
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#include "mdvar.h"
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#include "parameters.h"
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#include "split.h"
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void BNDRY(long ProcID) /* this routine puts the molecules back inside the box if they are out */
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{
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long i, j, k, dir;
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long X_INDEX, Y_INDEX, Z_INDEX;
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struct link *curr_ptr, *last_ptr, *next_ptr, *temp_ptr;
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struct list_of_boxes *curr_box;
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double *extra_p;
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/* for each box */
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curr_box = my_boxes[ProcID];
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while (curr_box) {
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i = curr_box->coord[XDIR]; /* X coordinate of box */
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j = curr_box->coord[YDIR]; /* Y coordinate of box */
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k = curr_box->coord[ZDIR]; /* Z coordinate of box */
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last_ptr = NULL;
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curr_ptr = BOX[i][j][k].list;
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/* Go through molecules in current box */
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while (curr_ptr) {
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next_ptr = curr_ptr->next_mol;
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/* for each direction */
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for ( dir = XDIR; dir <= ZDIR; dir++ ) {
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extra_p = curr_ptr->mol.F[DISP][dir];
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/* if the oxygen atom is out of the box */
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if (extra_p[O] > BOXL ) {
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/* move all three atoms back in the box */
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extra_p[H1] -= BOXL;
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extra_p[O] -= BOXL;
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extra_p[H2] -= BOXL;
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}
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else if (extra_p[O] < 0.00) {
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extra_p[H1] += BOXL;
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extra_p[O] += BOXL;
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extra_p[H2] += BOXL;
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}
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} /* for dir */
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/* If O atom moves out of current box, put it in correct box */
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X_INDEX = (long) (curr_ptr->mol.F[DISP][XDIR][O] / BOX_LENGTH);
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Y_INDEX = (long) (curr_ptr->mol.F[DISP][YDIR][O] / BOX_LENGTH);
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Z_INDEX = (long) (curr_ptr->mol.F[DISP][ZDIR][O] / BOX_LENGTH);
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if ((X_INDEX != i) ||
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(Y_INDEX != j) ||
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(Z_INDEX != k)) {
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/* Remove link from BOX[i][j][k] */
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LOCK(BOX[i][j][k].boxlock);
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if (last_ptr != NULL)
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last_ptr->next_mol = curr_ptr->next_mol;
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else
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BOX[i][j][k].list = curr_ptr->next_mol;
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UNLOCK(BOX[i][j][k].boxlock);
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/* Add link to BOX[X_INDEX][Y_INDEX][Z_INDEX] */
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LOCK(BOX[X_INDEX][Y_INDEX][Z_INDEX].boxlock);
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temp_ptr = BOX[X_INDEX][Y_INDEX][Z_INDEX].list;
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BOX[X_INDEX][Y_INDEX][Z_INDEX].list = curr_ptr;
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curr_ptr->next_mol = temp_ptr;
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UNLOCK(BOX[X_INDEX][Y_INDEX][Z_INDEX].boxlock);
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}
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else last_ptr = curr_ptr;
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curr_ptr = next_ptr; /* Go to next molecule in current box */
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} /* while curr_ptr */
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curr_box = curr_box->next_box;
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} /* for curr_box */
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} /* end of subroutine BNDRY */
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