ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

prevent overflow of memory usage accounting

Browse Source
This commit is contained in:
Axel Kohlmeyer
2021-05-09 00:46:49 -04:00
parent 7441264c31
commit a4ea858bc2
1 changed files with 7 additions and 3 deletions
Download Patch File Download Diff File Expand all files Collapse all files

10
src/MANYBODY/pair_bop.cpp
View File

@ -42,6 +42,7 @@
#include "domain.h"
#include "error.h"
#include "force.h"
#include "math_special.h"
#include "memory.h"
#include "neigh_list.h"
#include "neigh_request.h"
@ -55,6 +56,9 @@
#include <string>
using namespace LAMMPS_NS;
using MathSpecial::square;
using MathSpecial::cube;
/* ---------------------------------------------------------------------- */
@ -308,9 +312,9 @@ void PairBOP::allocate()
tripletParameters = new TabularFunction[ntriples];
memory->create(elem2param,bop_types,bop_types,"BOP:elem2param");
memory->create(elem3param,bop_types,bop_types,bop_types,"BOP:elem3param");
bytes += npairs*sizeof(PairParameters) +
ntriples*sizeof(TabularFunction) + bop_types*bop_types*sizeof(int) +
bop_types*bop_types*bop_types*sizeof(int);
bytes += (double)npairs*sizeof(PairParameters) +
(double)ntriples*sizeof(TabularFunction) + square(bop_types)*sizeof(int) +
cube(bop_types)*sizeof(int);
memory->create(pi_a,npairs,"BOP:pi_a");
memory->create(pro_delta,bop_types,"BOP:pro_delta");