kimpy Error: Collision of atoms 1 and 2. Their distance is 5.0243e-15! *** Error in `python': corrupted size vs. prev_size: 0x000000000309a250 *** ======= Backtrace: ========= /lib/x86_64-linux-gnu/libc.so.6(+0x777e5)[0x7f6b6dc3f7e5] /lib/x86_64-linux-gnu/libc.so.6(+0x80d36)[0x7f6b6dc48d36] /lib/x86_64-linux-gnu/libc.so.6(cfree+0x4c)[0x7f6b6dc4c53c] /usr/local/lib/python2.7/dist-packages/kimpy/neighborlist.so(_Z22nbl_free_neigh_contentPv+0x53)[0x7f6b546c9b73] /usr/local/lib/python2.7/dist-packages/kimpy/neighborlist.so(_Z22nbl_build_neighborlistPvdPKii+0x350)[0x7f6b546ca120] /usr/local/lib/python2.7/dist-packages/kimpy/neighborlist.so(+0x8db2)[0x7f6b546ccdb2] /usr/local/lib/python2.7/dist-packages/kimpy/neighborlist.so(+0x12fe1)[0x7f6b546d6fe1] python(PyEval_EvalFrameEx+0x68a)[0x4c45fa] python(PyEval_EvalCodeEx+0x255)[0x4c2705] python(PyEval_EvalFrameEx+0x686f)[0x4ca7df] python(PyEval_EvalCodeEx+0x255)[0x4c2705] python(PyEval_EvalFrameEx+0x6118)[0x4ca088] python(PyEval_EvalCodeEx+0x255)[0x4c2705] python(PyEval_EvalFrameEx+0x6118)[0x4ca088] python(PyEval_EvalCodeEx+0x255)[0x4c2705] python(PyEval_EvalFrameEx+0x6118)[0x4ca088] python(PyEval_EvalCodeEx+0x255)[0x4c2705] python(PyEval_EvalFrameEx+0x6118)[0x4ca088] python(PyEval_EvalCodeEx+0x255)[0x4c2705] python[0x4de69e] python(PyObject_Call+0x43)[0x4b0c93] python(PyEval_EvalFrameEx+0x2f86)[0x4c6ef6] python(PyEval_EvalCodeEx+0x255)[0x4c2705] python(PyEval_EvalFrameEx+0x686f)[0x4ca7df] python(PyEval_EvalCodeEx+0x255)[0x4c2705] python[0x4de858] python(PyObject_Call+0x43)[0x4b0c93] python(PyEval_EvalFrameEx+0x2f86)[0x4c6ef6] python(PyEval_EvalCodeEx+0x255)[0x4c2705] python(PyEval_EvalFrameEx+0x6118)[0x4ca088] python(PyEval_EvalCodeEx+0x255)[0x4c2705] python(PyEval_EvalFrameEx+0x686f)[0x4ca7df] python(PyEval_EvalCodeEx+0x255)[0x4c2705] python(PyEval_EvalCode+0x19)[0x4c24a9] python[0x4f19ef] python(PyRun_FileExFlags+0x82)[0x4ec372] python(PyRun_SimpleFileExFlags+0x191)[0x4eaaf1] python(Py_Main+0x6c8)[0x49e208] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf0)[0x7f6b6dbe8830] python(_start+0x29)[0x49da59] ======= Memory map: ======== 00400000-006e9000 r-xp 00000000 ca:01 21870 /usr/bin/python2.7 008e8000-008ea000 r--p 002e8000 ca:01 21870 /usr/bin/python2.7 008ea000-00961000 rw-p 002ea000 ca:01 21870 /usr/bin/python2.7 00961000-00984000 rw-p 00000000 00:00 0 023ff000-043b0000 rw-p 00000000 00:00 0 [heap] 7f6b4a2b1000-7f6b4a2f1000 rw-p 00000000 00:00 0 7f6b4a2f1000-7f6b4a2f5000 r-xp 00000000 ca:10 1444985 /disk2/worker/repository/mo/model_He_P_AbIn__MO_126942667206_001/libkim-api-model-v1.9.2+GCC.linux.64bit.dynamic-load.so 7f6b4a2f5000-7f6b4a4f4000 ---p 00004000 ca:10 1444985 /disk2/worker/repository/mo/model_He_P_AbIn__MO_126942667206_001/libkim-api-model-v1.9.2+GCC.linux.64bit.dynamic-load.so 7f6b4a4f4000-7f6b4a4f5000 r--p 00003000 ca:10 1444985 /disk2/worker/repository/mo/model_He_P_AbIn__MO_126942667206_001/libkim-api-model-v1.9.2+GCC.linux.64bit.dynamic-load.so 7f6b4a4f5000-7f6b4a4f7000 rw-p 00004000 ca:10 1444985 /disk2/worker/repository/mo/model_He_P_AbIn__MO_126942667206_001/libkim-api-model-v1.9.2+GCC.linux.64bit.dynamic-load.so 7f6b4a4f7000-7f6b4c4f7000 rw-p 00000000 00:00 0 7f6b4c4f7000-7f6b4c537000 rw-p 00000000 00:00 0 7f6b4c537000-7f6b4c58a000 r-xp 00000000 ca:01 305735 /usr/local/lib/python2.7/dist-packages/scipy/ndimage/_ni_label.so 7f6b4c58a000-7f6b4c789000 ---p 00053000 ca:01 305735 /usr/local/lib/python2.7/dist-packages/scipy/ndimage/_ni_label.so 7f6b4c789000-7f6b4c78e000 rw-p 00052000 ca:01 305735 /usr/local/lib/python2.7/dist-packages/scipy/ndimage/_ni_label.so 7f6b4c78e000-7f6b4c78f000 rw-p 00000000 00:00 0 7f6b4c78f000-7f6b4c7bc000 r-xp 00000000 ca:01 305456 /usr/local/lib/python2.7/dist-packages/scipy/spatial/_hausdorff.so 7f6b4c7bc000-7f6b4c9bb000 ---p 0002d000 ca:01 305456 /usr/local/lib/python2.7/dist-packages/scipy/spatial/_hausdorff.so 7f6b4c9bb000-7f6b4c9be000 rw-p 0002c000 ca:01 305456 /usr/local/lib/python2.7/dist-packages/scipy/spatial/_hausdorff.so 7f6b4c9be000-7f6b4c9bf000 rw-p 00000000 00:00 0 7f6b4c9bf000-7f6b4c9d6000 r-xp 00000000 ca:01 305448 /usr/local/lib/python2.7/dist-packages/scipy/spatial/_distance_wrap.so 7f6b4c9d6000-7f6b4cbd6000 ---p 00017000 ca:01 305448 /usr/local/lib/python2.7/dist-packages/scipy/spatial/_distance_wrap.so 7f6b4cbd6000-7f6b4cbd7000 rw-p 00017000 ca:01 305448 /usr/local/lib/python2.7/dist-packages/scipy/spatial/_distance_wrap.so 7f6b4cbd7000-7f6b4cc17000 rw-p 00000000 00:00 0 7f6b4cc17000-7f6b4cc44000 r-xp 00000000 ca:01 305452 /usr/local/lib/python2.7/dist-packages/scipy/spatial/_voronoi.so 7f6b4cc44000-7f6b4ce43000 ---p 0002d000 ca:01 305452 /usr/local/lib/python2.7/dist-packages/scipy/spatial/_voronoi.so 7f6b4ce43000-7f6b4ce46000 rw-p 0002c000 ca:01 305452 /usr/local/lib/python2.7/dist-packages/scipy/spatial/_voronoi.so 7f6b4ce46000-7f6b4ce47000 rw-p 00000000 00:00 0 7f6b4ce47000-7f6b4cf27000 r-xp 00000000 ca:01 305463 /usr/local/lib/python2.7/dist-packages/scipy/spatial/qhull.so 7f6b4cf27000-7f6b4d126000 ---p 000e0000 ca:01 305463 /usr/local/lib/python2.7/dist-packages/scipy/spatial/qhull.so 7f6b4d126000-7f6b4d130000 rw-p 000df000 ca:01 305463 /usr/local/lib/python2.7/dist-packages/scipy/spatial/qhull.so 7f6b4d130000-7f6b4d132000 rw-p 00000000 00:00 0 7f6b4d132000-7f6b4d13c000 rw-p 003c2000 ca:01 305463 /usr/local/lib/python2.7/dist-packages/scipy/spatial/qhull.so 7f6b4d13c000-7f6b4d142000 r-xp 00000000 ca:01 269909 /usr/lib/python2.7/lib-dynload/_multiprocessing.x86_64-linux-gnu.so 7f6b4d142000-7f6b4d341000 ---p 00006000 ca:01 269909 /usr/lib/python2.7/lib-dynload/_multiprocessing.x86_64-linux-gnu.so 7f6b4d341000-7f6b4d342000 r--p 00005000 ca:01 269909 /usr/lib/python2.7/lib-dynload/_multiprocessing.x86_64-linux-gnu.so 7f6b4d342000-7f6b4d343000 rw-p 00006000 ca:01 269909 /usr/lib/python2.7/lib-dynload/_multiprocessing.x86_64-linux-gnu.so 7f6b4d343000-7f6b4d3dc000 r-xp 00000000 ca:01 305460 /usr/local/lib/python2.7/dist-packages/scipy/spatial/ckdtree.so 7f6b4d3dc000-7f6b4d5dc000 ---p 00099000 ca:01 305460 /usr/local/lib/python2.7/dist-packages/scipy/spatial/ckdtree.so 7f6b4d5dc000-7f6b4d5e4000 rw-p 00099000 ca:01 305460 /usr/local/lib/python2.7/dist-packages/scipy/spatial/ckdtree.so 7f6b4d5e4000-7f6b4d5e5000 rw-p 00000000 00:00 0 7f6b4d5e5000-7f6b4d637000 r-xp 00000000 ca:01 304488 /usr/local/lib/python2.7/dist-packages/scipy/interpolate/interpnd.so 7f6b4d637000-7f6b4d836000 ---p 00052000 ca:01 304488 /usr/local/lib/python2.7/dist-packages/scipy/interpolate/interpnd.so 7f6b4d836000-7f6b4d83b000 rw-p 00051000 ca:01 304488 /usr/local/lib/python2.7/dist-packages/scipy/interpolate/interpnd.so 7f6b4d83b000-7f6b4d87c000 rw-p 00000000 00:00 0 7f6b4d87c000-7f6b4d8d2000 r-xp 00000000 ca:01 304478 /usr/local/lib/python2.7/dist-packages/scipy/interpolate/_ppoly.so 7f6b4d8d2000-7f6b4dad2000 ---p 00056000 ca:01 304478 /usr/local/lib/python2.7/dist-packages/scipy/interpolate/_ppoly.so 7f6b4dad2000-7f6b4dad8000 rw-p 00056000 ca:01 304478 /usr/local/lib/python2.7/dist-packages/scipy/interpolate/_ppoly.so 7f6b4dad8000-7f6b4dad9000 rw-p 00000000 00:00 0 7f6b4dad9000-7f6b4dadd000 rw-p 001a5000 ca:01 304478 /usr/local/lib/python2.7/dist-packages/scipy/interpolate/_ppoly.so 7f6b4dadd000-7f6b4db1e000 r-xp 00000000 ca:01 304482 /usr/local/lib/python2.7/dist-packages/scipy/interpolate/_bspl.so 7f6b4db1e000-7f6b4dd1d000 ---p 00041000 ca:01 304482 /usr/local/lib/python2.7/dist-packages/scipy/interpolate/_bspl.so 7f6b4dd1d000-7f6b4dd23000 rw-p 00040000 ca:01 304482 /usr/local/lib/python2.7/dist-packages/scipy/interpolate/_bspl.so 7f6b4dd23000-7f6b4dd24000 rw-p 00000000 00:00 0 7f6b4dd24000-7f6b4dd27000 rw-p 00140000 ca:01 304482 /usr/local/lib/python2.7/dist-packages/scipy/interpolate/_bspl.so 7f6b4dd27000-7f6b4dd87000 r-xp 00000000 ca:01 304474 /usr/local/lib/python2.7/dist-packages/scipy/interpolate/dfitpack.so 7f6b4dd87000-7f6b4df87000 ---p 00060000 ca:01 304474 /usr/local/lib/python2.7/dist-packages/scipy/interpolate/dfitpack.so 7f6b4df87000-7f6b4df8e000 rw-p 00060000 ca:01 304474 /usr/local/lib/python2.7/dist-packages/scipy/interpolate/dfitpack.so 7f6b4df8e000-7f6b4df90000 rw-p 000b1000 ca:01 304474 /usr/local/lib/python2.7/dist-packages/scipy/interpolate/dfitpack.so 7f6b4df90000-7f6b4dfc5000 r-xp 00000000 ca:01 304471 /usr/local/lib/python2.7/dist-packages/scipy/interpolate/_fitpack.so 7f6b4dfc5000-7f6b4e1c5000 ---p 00035000 ca:01 304471 /usr/local/lib/python2.7/dist-packages/scipy/interpolate/_fitpack.so 7f6b4e1c5000-7f6b4e1c6000 rw-p 00035000 ca:01 304471 /usr/local/lib/python2.7/dist-packages/scipy/interpolate/_fitpack.so 7f6b4e1c6000-7f6b4e1c8000 rw-p 0004e000 ca:01 304471 /usr/local/lib/python2.7/dist-packages/scipy/interpolate/_fitpack.so 7f6b4e1c8000-7f6b4e208000 rw-p 00000000 00:00 0 7f6b4e208000-7f6b4e212000 r-xp 00000000 ca:01 305018 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_nnls.so 7f6b4e212000-7f6b4e412000 ---p 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7f6b4e87e000-7f6b4e881000 rw-p 00026000 ca:01 305085 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_lsq/givens_elimination.so 7f6b4e881000-7f6b4e882000 rw-p 00000000 00:00 0 7f6b4e882000-7f6b4e8b0000 r-xp 00000000 ca:01 305048 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_group_columns.so 7f6b4e8b0000-7f6b4eaaf000 ---p 0002e000 ca:01 305048 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_group_columns.so 7f6b4eaaf000-7f6b4eab2000 rw-p 0002d000 ca:01 305048 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_group_columns.so 7f6b4eab2000-7f6b4eab3000 rw-p 00000000 00:00 0 7f6b4eab3000-7f6b4ead2000 r-xp 00000000 ca:01 305013 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_minpack.so 7f6b4ead2000-7f6b4ecd2000 ---p 0001f000 ca:01 305013 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_minpack.so 7f6b4ecd2000-7f6b4ecd3000 rw-p 0001f000 ca:01 305013 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_minpack.so 7f6b4ecd3000-7f6b4ecd5000 rw-p 00031000 ca:01 305013 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_minpack.so 7f6b4ecd5000-7f6b4ecec000 r-xp 00000000 ca:01 305059 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_slsqp.so 7f6b4ecec000-7f6b4eeec000 ---p 00017000 ca:01 305059 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_slsqp.so 7f6b4eeec000-7f6b4eeed000 rw-p 00017000 ca:01 305059 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_slsqp.so 7f6b4eeed000-7f6b4eeef000 rw-p 0002c000 ca:01 305059 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_slsqp.so 7f6b4eeef000-7f6b4ef0d000 r-xp 00000000 ca:01 305016 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_cobyla.so 7f6b4ef0d000-7f6b4f10d000 ---p 0001e000 ca:01 305016 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_cobyla.so 7f6b4f10d000-7f6b4f10e000 rw-p 0001e000 ca:01 305016 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_cobyla.so 7f6b4f10e000-7f6b4f110000 rw-p 00035000 ca:01 305016 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/usr/local/lib/python2.7/dist-packages/scipy/_lib/messagestream.so 7f6b4f546000-7f6b4f746000 ---p 00008000 ca:01 304837 /usr/local/lib/python2.7/dist-packages/scipy/_lib/messagestream.so 7f6b4f746000-7f6b4f747000 rw-p 00008000 ca:01 304837 /usr/local/lib/python2.7/dist-packages/scipy/_lib/messagestream.so 7f6b4f747000-7f6b4f793000 r-xp 00000000 ca:01 305069 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_trlib/_trlib.so 7f6b4f793000-7f6b4f992000 ---p 0004c000 ca:01 305069 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_trlib/_trlib.so 7f6b4f992000-7f6b4f996000 rw-p 0004b000 ca:01 305069 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_trlib/_trlib.so 7f6b4f996000-7f6b4f997000 rw-p 00000000 00:00 0 7f6b4f997000-7f6b4f99b000 rw-p 00165000 ca:01 305069 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_trlib/_trlib.so 7f6b4f99b000-7f6b4f9db000 rw-p 00000000 00:00 0 7f6b4f9db000-7f6b4f9e4000 r-xp 00000000 ca:01 305043 /usr/local/lib/python2.7/dist-packages/scipy/optimize/minpack2.so 7f6b4f9e4000-7f6b4fbe4000 ---p 00009000 ca:01 305043 /usr/local/lib/python2.7/dist-packages/scipy/optimize/minpack2.so 7f6b4fbe4000-7f6b4fbe5000 rw-p 00009000 ca:01 305043 /usr/local/lib/python2.7/dist-packages/scipy/optimize/minpack2.so 7f6b4fbe5000-7f6b4fbe7000 rw-p 0001d000 ca:01 305043 /usr/local/lib/python2.7/dist-packages/scipy/optimize/minpack2.so 7f6b4fbe7000-7f6b4fc73000 r-xp 00000000 ca:01 304685 /usr/local/lib/python2.7/dist-packages/scipy/sparse/linalg/eigen/arpack/_arpack.so 7f6b4fc73000-7f6b4fe72000 ---p 0008c000 ca:01 304685 /usr/local/lib/python2.7/dist-packages/scipy/sparse/linalg/eigen/arpack/_arpack.so 7f6b4fe72000-7f6b4fe7e000 rw-p 0008b000 ca:01 304685 /usr/local/lib/python2.7/dist-packages/scipy/sparse/linalg/eigen/arpack/_arpack.so 7f6b4fe7e000-7f6b4fe7f000 rw-p 00000000 00:00 0 7f6b4fe7f000-7f6b4fe84000 rw-p 000d3000 ca:01 304685 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00000000 00:00 0 7f6b6e1af000-7f6b6e1d5000 r-xp 00000000 ca:01 2041 /lib/x86_64-linux-gnu/ld-2.23.so 7f6b6e212000-7f6b6e2d2000 rw-p 00000000 00:00 0 7f6b6e303000-7f6b6e3c8000 rw-p 00000000 00:00 0 7f6b6e3d0000-7f6b6e3d1000 rw-p 00000000 00:00 0 7f6b6e3d1000-7f6b6e3d2000 rwxp 00000000 00:00 0 7f6b6e3d2000-7f6b6e3d4000 rw-p 00000000 00:00 0 7f6b6e3d4000-7f6b6e3d5000 r--p 00025000 ca:01 2041 /lib/x86_64-linux-gnu/ld-2.23.so 7f6b6e3d5000-7f6b6e3d6000 rw-p 00026000 ca:01 2041 /lib/x86_64-linux-gnu/ld-2.23.so 7f6b6e3d6000-7f6b6e3d7000 rw-p 00000000 00:00 0 7ffcd2588000-7ffcd2612000 rw-p 00000000 00:00 0 [stack] 7ffcd27ab000-7ffcd27ad000 r--p 00000000 00:00 0 [vvar] 7ffcd27ad000-7ffcd27af000 r-xp 00000000 00:00 0 [vdso] ffffffffff600000-ffffffffff601000 r-xp 00000000 00:00 0 [vsyscall] Command terminated by signal 6 {"usertime":21.23,"memmax":308956,"memavg":0}