jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

store compute_tally array in restart and read it back. fix memory leak.

This commit is contained in:
Axel Kohlmeyer 2019-06-24 05:28:54 -04:00
parent 171d74f2f2
commit 3e93881e44
No known key found for this signature in database
GPG Key ID: D9B44E93BF0C375A
1 changed files with 8 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

9
src/pair_hybrid.cpp
View File

@ -254,6 +254,7 @@ void PairHybrid::settings(int narg, char **arg)
delete[] multiple;
delete[] special_lj;
delete[] special_coul;
delete[] compute_tally;
}
if (allocated) {
@ -273,7 +274,6 @@ void PairHybrid::settings(int narg, char **arg)
special_lj = new double*[narg];
special_coul = new double*[narg];
compute_tally = new int[narg];
// allocate each sub-style
@ -649,6 +649,8 @@ void PairHybrid::write_restart(FILE *fp)
// each sub-style writes its settings, but no coeff info
fwrite(compute_tally,sizeof(int),nstyles,fp);
int n;
for (int m = 0; m < nstyles; m++) {
n = strlen(keywords[m]) + 1;
@ -682,6 +684,7 @@ void PairHybrid::read_restart(FILE *fp)
delete[] multiple;
delete[] special_lj;
delete[] special_coul;
delete[] compute_tally;
styles = new Pair*[nstyles];
keywords = new char*[nstyles];
@ -689,10 +692,14 @@ void PairHybrid::read_restart(FILE *fp)
special_lj = new double*[nstyles];
special_coul = new double*[nstyles];
compute_tally = new int[nstyles];
// each sub-style is created via new_pair()
// each reads its settings, but no coeff info
if (me == 0) fread(compute_tally,sizeof(int),nstyles,fp);
MPI_Bcast(compute_tally,nstyles,MPI_INT,0,world);
int n,dummy;
for (int m = 0; m < nstyles; m++) {
if (me == 0) fread(&n,sizeof(int),1,fp);