[Dock-fans] using mpich2 with dock5

Kaitlyn Hwang hwang at mcs.anl.gov
Sat Oct 1 08:52:34 PDT 2005

I tested ...

mpiexec -np 2 valgrind ../../../../../dock5_mpi2/bin/dock5 -i dock.in -o

I have a reponse from another dock-fan user that parallel works with
dock4. Has anyone seen or fix the below error? Or have dock4 working in
parallel. If so, which mpich did you use?

==15884== Invalid read of size 4
==15884==    at 0x1BA04DD7:
std::string::_Rep::_M_grab(std::allocator<char> const&,
std::allocator<char> cons
t&) (in /usr/lib/gcc-lib/i386-pc-linux-gnu/3.3.5/libstdc++.so.5.0.7)
==15884==    by 0x1BA061B6: std::string::assign(std::string const&) (in
==15884==    by 0x1BA05475: std::string::operator=(std::string const&) (in
==15884==    by 0x80867B5: copy_molecule(DOCKMol&, DOCKMol const&)
==15884==    by 0x8065E08: Base_MPI::get_from_send_queue(DOCKMol&)
==15884==    by 0x808FFC8: Library_File::get_mol(DOCKMol&)
==15884==    by 0x804B36C: main (dock.cpp:94)
==15884==  Address 0x4F525241 is not stack'd, malloc'd or (recently)


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