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 :(.
127 lines
4.4 KiB
C
127 lines
4.4 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 "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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/* predicts new values for displacement and its five derivatives
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* using Gear's sixth-order predictor-corrector method
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*
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* NOR1 : NOR1 = NORDER + 1 = 7 (for a sixth-order method)
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*/
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void PREDIC(double *C, long NOR1, long ProcID)
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{
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/* this routine calculates predicted F(X), F'(X), F''(X), ... */
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long JIZ;
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long JI;
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long L;
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long func, i, j, k, dir, atom;
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double S;
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struct link *curr_ptr;
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struct list_of_boxes *curr_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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/* Loop through the current box's molecules */
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curr_ptr = BOX[i][j][k].list;
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while (curr_ptr) {
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JIZ = 2;
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/* loop over F(X), F'(X), F''(X), etc. */
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for (func = 0; func < NORDER; func++) {
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for ( dir = 0; dir < NDIR; dir++)
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for ( atom = 0; atom < NATOM; atom++ ) {
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JI = JIZ;
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/* sum over Taylor Series */
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S = 0.0;
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for ( L = func; L < NORDER; L++) {
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S += C[JI] * curr_ptr->mol.F[L+1][dir][atom];
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JI++;
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} /* for L */
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curr_ptr->mol.F[func][dir][atom] += S;
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} /* for atom */
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JIZ += NOR1;
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} /* for func */
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curr_ptr = curr_ptr->next_mol;
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} /* while curr_ptr */
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curr_box = curr_box->next_box;
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} /* while curr_box */
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} /* end of subroutine PREDIC */
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/* corrects the predicted values
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*
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* PCC : the predictor-corrector constants
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* NOR1 : NORDER + 1 = 7 for a sixth-order method)
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*/
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void CORREC(double *PCC, long NOR1, long ProcID)
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{
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/* This routine calculates corrected F(X), F'(X), F"(X),
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* from corrected F(X) = predicted F(X) + PCC(1)*(FR-SD)
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* where SD is predicted accl. F"(X) and FR is computed
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* accl. (force/mass) at predicted position
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*/
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double Y;
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long i, j, k, dir, atom, func;
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struct link *curr_ptr;
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box_list *curr_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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/* Loop through the current box's molecules */
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curr_ptr = BOX[i][j][k].list;
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while (curr_ptr) {
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for (dir = 0; dir < NDIR; dir++) {
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for (atom = 0; atom < NATOM; atom++) {
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Y = curr_ptr->mol.F[FORCES][dir][atom] -
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curr_ptr->mol.F[ACC][dir][atom];
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for ( func = 0; func < NOR1; func++)
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curr_ptr->mol.F[func][dir][atom] += PCC[func] * Y;
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} /* for atom */
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} /* for dir */
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curr_ptr= curr_ptr->next_mol;
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} /* while curr_ptr */
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curr_box = curr_box->next_box;
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} /* while curr_box */
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} /* end of subroutine CORREC */
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