gem5/splash2/codes/apps/water-spatial/syscons.C
Sanchayan Maity 0f4b39775c Fix splash2 benchmark
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.
2017-04-26 21:33:02 +05:30

92 lines
3.4 KiB
C

/*************************************************************************/
/* */
/* Copyright (c) 1994 Stanford University */
/* */
/* All rights reserved. */
/* */
/* Permission is given to use, copy, and modify this software for any */
/* non-commercial purpose as long as this copyright notice is not */
/* removed. All other uses, including redistribution in whole or in */
/* part, are forbidden without prior written permission. */
/* */
/* This software is provided with absolutely no warranty and no */
/* support. */
/* */
/*************************************************************************/
EXTERN_ENV
#include <stdio.h>
#include <math.h>
#include "parameters.h"
#include "mdvar.h"
#include "water.h"
#include "wwpot.h"
#include "cnst.h"
#include "mddata.h"
#include "global.h"
void SYSCNS() /* sets up some system constants */
{
TSTEP=TSTEP/UNITT; /* time between steps */
NATMO=NATOMS*NMOL; /* total number of atoms in system */
NATMO3=NATMO*3; /* number of atoms * number of spatial dimensions */
FPOT= UNITM * pow((UNITL/UNITT),2.0) / (BOLTZ*TEMP*NATMO);
FKIN=FPOT*0.50/(TSTEP*TSTEP);
/* computed length of the cubical "box". Note that box size is
* computed as being large enough to handle the input number of
* water molecules
*/
BOXL= pow( (NMOL*WTMOL*UNITM/RHO),(1.00/3.00));
/* normalized length of computational box (in Angstroms) */
BOXL=BOXL/UNITL;
/* # of boxes per side */
BOXH = BOXL*0.50;
/* set cutoff radius if it was not already read in nonzero from
the input file in water.C. If it was defined in the input file,
then that definition is retained. */
if (CUTOFF == 0.0) {
CUTOFF=max(BOXH,CUTOFF); /* cutoff radius is max of BOXH
and default (= 0); i.e. CUTOFF
radius is set to half the normalized
box length */
}
if (CUTOFF > 11.0) CUTOFF = 11.0; /* cutoff never greater than 11
Angstrom */
BOX_PER_SIDE = ( BOXL / CUTOFF);
/* BOX_PER_SIDE is always >=1 */
if (!BOX_PER_SIDE) BOX_PER_SIDE = 1;
/* Length of a box in Angstroms */
BOX_LENGTH = BOXL / ( (double) BOX_PER_SIDE);
BPS_SQRD = BOX_PER_SIDE * BOX_PER_SIDE;
NumBoxes = BOX_PER_SIDE * BOX_PER_SIDE * BOX_PER_SIDE;
REF1= -QQ/(CUTOFF*CUTOFF*CUTOFF);
REF2=2.00*REF1;
REF4=2.00*REF2;
CUT2=CUTOFF*CUTOFF; /* square of cutoff radius, used
to actually decide whether an
interaction should be computed in
INTERF and POTENG */
FHM=(TSTEP*TSTEP*0.50)/HMAS;
FOM=(TSTEP*TSTEP*0.50)/OMAS;
NMOL1=NMOL-1;
} /* end of subroutine SYSCNS */