Hi Tim,
VLD is finding a memory leak under MSVC when using FindAutomorphisms as follows:
Call Stack:
c:\program files (x86)\microsoft visual studio
9.0\vc\include\xmemory (43): std::_Allocate<unsigned int>
c:\program files (x86)\microsoft visual studio
9.0\vc\include\xmemory (145): std::allocator<unsigned int>::allocate
c:\program files (x86)\microsoft visual studio
9.0\vc\include\vector (1110): std::vector<unsigned
int,std::allocator<unsigned int> >::_Buy
c:\program files (x86)\microsoft visual studio
9.0\vc\include\vector (501): std::vector<unsigned
int,std::allocator<unsigned int> >::vector<unsigned
int,std::allocator<unsigned int> >
c:\tools\openbabel\newrepo\src\isomorphism.cpp (571):
OpenBabel::OBAutomorphismQueryAtom::OBAutomorphismQueryAtom
c:\tools\openbabel\newrepo\src\isomorphism.cpp (594):
OpenBabel::CompileAutomorphismQuery
c:\tools\openbabel\newrepo\src\isomorphism.cpp (662):
OpenBabel::FindAutomorphisms
c:\tools\openbabel\newrepo\src\isomorphism.cpp (623):
OpenBabel::FindAutomorphisms
Could it be that vector<unsigned int> symclasses(_symclass) is
allocated but never deallocated? Don't ask me why?? Some sort of weak
reference keeping it alive?
I see the same problem in the nightly dynamic analysis
(http://my.cdash.org/viewDynamicAnalysisFile.php?id=280143) :
"256 bytes in 8 blocks are definitely lost in loss record 13 of 32"
It's not a lot but on a small test file (50 molecules), I have this
same problem 800 times. Any ideas?
- Noel
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