[Openmd-users] Segmentation fault using openmd

[Hans Philipp]

Hello,


I wanted to use the openmd-program.

But during compil    ?ation I had to add some options and the program exits with an error.


====================================================================================================

System: Ubuntu 16.04.

At about 82% of compilation process during linking. Had to add the following:
-lmpi -lmpi_cxx

to:

/usr/bin/c++   -O3 -DNDEBUG   CMakeFiles/openmd_MPI.dir/src/applications/openmd/openmd.cpp.o  -o bin/openmd_MPI -rdynamic -lqhull -lz -lfftw3 lib/libopenmd_parallel.a lib/libopenmd_core.a lib/libopenmd_parallel.a lib/libopenmd_core.a -lqhull -lz -lfftw3 -lmpi -lmpi_cxx
------------------------------------------------------------------------------------------------------------------------------------
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When trying to run one of the examples, calling

openmd NP15.md

leads to:
Segmentation fault (core dumped)


The problem seems to lie here:

Program received signal SIGSEGV, Segmentation fault.
0x00000000004a9eda in OpenMD::ConvexHull::computeHull(std::vector<OpenMD::StuntDouble*, std::allocator<OpenMD::StuntDouble*> >) ()
(gdb) where
#0  0x00000000004a9eda in OpenMD::ConvexHull::computeHull(std::vector<OpenMD::StuntDouble*, std::allocator<OpenMD::StuntDouble*> >) ()
#1  0x0000000000646200 in OpenMD::LangevinHullForceManager::LangevinHullForceManager(OpenMD::SimInfo*) ()
#2  0x00000000006161ae in OpenMD::LangevinHullDynamics::LangevinHullDynamics(OpenMD::SimInfo*) ()
#3  0x0000000000515411 in OpenMD::IntegratorBuilder<OpenMD::LangevinHullDynamics>::create(OpenMD::SimInfo*) const ()
#4  0x00000000004610c4 in main ()
(gdb) quit
====================================================================================================


Thank you in advance.

best regrads,

Philipp

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