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

detect missing initialization and run it instead of crashing with a non-descript segfault

Browse Source
This commit is contained in:
Axel Kohlmeyer
2018-12-12 16:39:27 -05:00
parent f2f7bcfa5a
commit 5b0c43108d
3 changed files with 82 additions and 48 deletions
Download Patch File Download Diff File Expand all files Collapse all files

20
src/compute_reduce.cpp
View File

@ -30,8 +30,8 @@
using namespace LAMMPS_NS;
enum{SUM,SUMSQ,MINN,MAXX,AVE,AVESQ}; // also in ReduceRegion
enum{X,V,F,COMPUTE,FIX,VARIABLE};
enum{SUM,SUMSQ,MINN,MAXX,AVE,AVESQ}; // also in ComputeReduceRegion
enum{UNKNOWN=-1,X,V,F,COMPUTE,FIX,VARIABLE};
enum{PERATOM,LOCAL};
#define INVOKED_VECTOR 2
@ -92,6 +92,10 @@ ComputeReduce::ComputeReduce(LAMMPS *lmp, int narg, char **arg) :
flavor = new int[nargnew];
ids = new char*[nargnew];
value2index = new int[nargnew];
for (int i=0; i < nargnew; ++i) {
which[i] = argindex[i] = flavor[i] = value2index[i] = UNKNOWN;
ids[i] = NULL;
}
nvalues = 0;
iarg = 0;
@ -345,7 +349,7 @@ void ComputeReduce::init()
error->all(FLERR,"Variable name for compute reduce does not exist");
value2index[m] = ivariable;
} else value2index[m] = -1;
} else value2index[m] = UNKNOWN;
}
// set index and check validity of region
@ -468,8 +472,16 @@ double ComputeReduce::compute_one(int m, int flag)
index = -1;
int vidx = value2index[m];
int aidx = argindex[m];
// initialization in case it has not yet been run, e.g. when
// the compute was invoked right after it has been created
if (vidx == UNKNOWN) {
init();
vidx = value2index[m];
}
int aidx = argindex[m];
int *mask = atom->mask;
int nlocal = atom->nlocal;