Sanchayan Maity
0f4b39775c
During the last commit of splash2 benchmark it seems before committing when we ran "make clean", it effectively undid what the patch at below link did http://www.capsl.udel.edu/splash/Download.html Fix this since without this it is not possible to build the arcane splash2 benchmark.
47 lines
2 KiB
C
47 lines
2 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 "math.h"
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#include "mdvar.h"
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#include "parameters.h"
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#include "mddata.h"
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#include "split.h"
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#include "global.h"
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/* this routine computes kinetic energy in each of the three spatial
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dimensions, and puts the computed values in the SUM array */
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void KINETI(double *SUM, double HMAS, double OMAS, long ProcID)
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{
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long dir, mol;
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double S;
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/* loop over the three directions */
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for (dir = XDIR; dir <= ZDIR; dir++) {
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S=0.0;
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/* loop over the molecules */
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for (mol = StartMol[ProcID]; mol < StartMol[ProcID+1]; mol++) {
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double *tempptr = VAR[mol].F[VEL][dir];
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S += ( tempptr[H1] * tempptr[H1] +
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tempptr[H2] * tempptr[H2] ) * HMAS
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+ (tempptr[O] * tempptr[O]) * OMAS;
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}
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LOCK(gl->KinetiSumLock);
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SUM[dir]+=S;
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UNLOCK(gl->KinetiSumLock);
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} /* for */
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} /* end of subroutine KINETI */
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