KimNeighborNEIGHPUREF.cpp:95: virtual int AsapOpenKIM_EMT::KimNeighborNEIGHPUREF::GetFullNeighbors(int, int*, AsapOpenKIM_EMT::Vec*, double*, int&, double) const: Assertion 'numnb <= size' failed. *** Error in `python': double free or corruption (out): 0x0000000001dca940 *** ======= Backtrace: ========= /lib/x86_64-linux-gnu/libc.so.6(+0x777e5)[0x7f9f579797e5] /lib/x86_64-linux-gnu/libc.so.6(+0x8037a)[0x7f9f5798237a] /lib/x86_64-linux-gnu/libc.so.6(cfree+0x4c)[0x7f9f5798653c] /disk2/worker/repository/md/EMT_Asap__MD_128315414717_002/libkim-api-model-driver-v1.so(+0x16f89)[0x7f9f396fdf89] /disk2/worker/repository/md/EMT_Asap__MD_128315414717_002/libkim-api-model-driver-v1.so(+0x14615)[0x7f9f396fb615] /disk2/worker/repository/md/EMT_Asap__MD_128315414717_002/libkim-api-model-driver-v1.so(+0x15200)[0x7f9f396fc200] /disk2/worker/repository/md/EMT_Asap__MD_128315414717_002/libkim-api-model-driver-v1.so(+0x1449b)[0x7f9f396fb49b] /disk2/worker/repository/md/EMT_Asap__MD_128315414717_002/libkim-api-model-driver-v1.so(+0x21a2f)[0x7f9f39708a2f] /disk2/worker/repository/md/EMT_Asap__MD_128315414717_002/libkim-api-model-driver-v1.so(+0x21fd0)[0x7f9f39708fd0] /disk2/worker/local/lib/kim-api-v1/libkim-api-v1.so(_ZN13KIM_API_model13model_computeEv+0x86)[0x7f9f52a3a996] /usr/local/lib/python2.7/dist-packages/kimpy/kimapi.so(+0xbb68)[0x7f9f52c8ab68] /usr/local/lib/python2.7/dist-packages/kimpy/kimapi.so(+0x1a023)[0x7f9f52c99023] python(PyEval_EvalFrameEx+0x5ca)[0x4bc3fa] python(PyEval_EvalCodeEx+0x306)[0x4b9ab6] python(PyEval_EvalFrameEx+0x58b7)[0x4c16e7] python(PyEval_EvalCodeEx+0x306)[0x4b9ab6] python(PyEval_EvalFrameEx+0x58b7)[0x4c16e7] python(PyEval_EvalCodeEx+0x306)[0x4b9ab6] python(PyEval_EvalFrameEx+0x58b7)[0x4c16e7] python(PyEval_EvalCodeEx+0x306)[0x4b9ab6] python(PyEval_EvalFrameEx+0x58b7)[0x4c16e7] python(PyEval_EvalCodeEx+0x306)[0x4b9ab6] python[0x4d54b9] python(PyObject_Call+0x3e)[0x4a577e] python(PyEval_EvalFrameEx+0x2f0d)[0x4bed3d] python(PyEval_EvalCodeEx+0x306)[0x4b9ab6] python(PyEval_EvalFrameEx+0x603f)[0x4c1e6f] python(PyEval_EvalCodeEx+0x306)[0x4b9ab6] python[0x4d55f3] python(PyObject_Call+0x3e)[0x4a577e] python(PyEval_EvalFrameEx+0x2f0d)[0x4bed3d] python(PyEval_EvalCodeEx+0x306)[0x4b9ab6] python(PyEval_EvalFrameEx+0x58b7)[0x4c16e7] python(PyEval_EvalCodeEx+0x306)[0x4b9ab6] python(PyEval_EvalFrameEx+0x603f)[0x4c1e6f] python(PyEval_EvalCodeEx+0x306)[0x4b9ab6] python[0x4eb30f] python(PyRun_FileExFlags+0x82)[0x4e5422] python(PyRun_SimpleFileExFlags+0x186)[0x4e3cd6] python(Py_Main+0x612)[0x493ae2] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf0)[0x7f9f57922830] python(_start+0x29)[0x4933e9] ======= Memory map: ======== 00400000-006de000 r-xp 00000000 ca:01 8574 /usr/bin/python2.7 008dd000-008de000 r--p 002dd000 ca:01 8574 /usr/bin/python2.7 008de000-00955000 rw-p 002de000 ca:01 8574 /usr/bin/python2.7 00955000-00978000 rw-p 00000000 00:00 0 012dd000-028a1000 rw-p 00000000 00:00 0 [heap] 7f9f35ee4000-7f9f37ee4000 rw-p 00000000 00:00 0 7f9f37ee4000-7f9f37ee5000 ---p 00000000 00:00 0 7f9f37ee5000-7f9f386e5000 rw-p 00000000 00:00 0 7f9f386e5000-7f9f386e6000 ---p 00000000 00:00 0 7f9f386e6000-7f9f38ee6000 rw-p 00000000 00:00 0 7f9f38ee6000-7f9f38ee7000 ---p 00000000 00:00 0 7f9f38ee7000-7f9f396e7000 rw-p 00000000 00:00 0 7f9f396e7000-7f9f39712000 r-xp 00000000 ca:10 1319588 /disk2/worker/repository/md/EMT_Asap__MD_128315414717_002/libkim-api-model-driver-v1.9.3-git+093102f.GCC.linux.64bit.dynamic-load.so 7f9f39712000-7f9f39911000 ---p 0002b000 ca:10 1319588 /disk2/worker/repository/md/EMT_Asap__MD_128315414717_002/libkim-api-model-driver-v1.9.3-git+093102f.GCC.linux.64bit.dynamic-load.so 7f9f39911000-7f9f39913000 r--p 0002a000 ca:10 1319588 /disk2/worker/repository/md/EMT_Asap__MD_128315414717_002/libkim-api-model-driver-v1.9.3-git+093102f.GCC.linux.64bit.dynamic-load.so 7f9f39913000-7f9f39914000 rw-p 0002c000 ca:10 1319588 /disk2/worker/repository/md/EMT_Asap__MD_128315414717_002/libkim-api-model-driver-v1.9.3-git+093102f.GCC.linux.64bit.dynamic-load.so 7f9f39914000-7f9f39918000 r-xp 00000000 ca:10 1319596 /disk2/worker/repository/mo/EMT_Asap_Standard_Jacobsen_Stoltze_Norskov_AlAgAuCuNiPdPt__MO_118428466217_002/libkim-api-model-v1.9.3-git+093102f.GCC.linux.64bit.dynamic-load.so 7f9f39918000-7f9f39b17000 ---p 00004000 ca:10 1319596 /disk2/worker/repository/mo/EMT_Asap_Standard_Jacobsen_Stoltze_Norskov_AlAgAuCuNiPdPt__MO_118428466217_002/libkim-api-model-v1.9.3-git+093102f.GCC.linux.64bit.dynamic-load.so 7f9f39b17000-7f9f39b18000 r--p 00003000 ca:10 1319596 /disk2/worker/repository/mo/EMT_Asap_Standard_Jacobsen_Stoltze_Norskov_AlAgAuCuNiPdPt__MO_118428466217_002/libkim-api-model-v1.9.3-git+093102f.GCC.linux.64bit.dynamic-load.so 7f9f39b18000-7f9f39b1a000 rw-p 00004000 ca:10 1319596 /disk2/worker/repository/mo/EMT_Asap_Standard_Jacobsen_Stoltze_Norskov_AlAgAuCuNiPdPt__MO_118428466217_002/libkim-api-model-v1.9.3-git+093102f.GCC.linux.64bit.dynamic-load.so 7f9f39b1a000-7f9f39e1b000 rw-p 00000000 00:00 0 7f9f39e1b000-7f9f39e1d000 r-xp 00000000 ca:01 301522 /usr/local/lib/python2.7/dist-packages/markupsafe/_speedups.so 7f9f39e1d000-7f9f3a01c000 ---p 00002000 ca:01 301522 /usr/local/lib/python2.7/dist-packages/markupsafe/_speedups.so 7f9f3a01c000-7f9f3a01d000 r--p 00001000 ca:01 301522 /usr/local/lib/python2.7/dist-packages/markupsafe/_speedups.so 7f9f3a01d000-7f9f3a01e000 rw-p 00002000 ca:01 301522 /usr/local/lib/python2.7/dist-packages/markupsafe/_speedups.so 7f9f3a01e000-7f9f3a07c000 r-xp 00000000 ca:01 3078 /lib/x86_64-linux-gnu/libssl.so.1.0.0 7f9f3a07c000-7f9f3a27c000 ---p 0005e000 ca:01 3078 /lib/x86_64-linux-gnu/libssl.so.1.0.0 7f9f3a27c000-7f9f3a280000 r--p 0005e000 ca:01 3078 /lib/x86_64-linux-gnu/libssl.so.1.0.0 7f9f3a280000-7f9f3a287000 rw-p 00062000 ca:01 3078 /lib/x86_64-linux-gnu/libssl.so.1.0.0 7f9f3a287000-7f9f3a29c000 r-xp 00000000 ca:01 280614 /usr/lib/python2.7/lib-dynload/_ssl.x86_64-linux-gnu.so 7f9f3a29c000-7f9f3a49b000 ---p 00015000 ca:01 280614 /usr/lib/python2.7/lib-dynload/_ssl.x86_64-linux-gnu.so 7f9f3a49b000-7f9f3a49c000 r--p 00014000 ca:01 280614 /usr/lib/python2.7/lib-dynload/_ssl.x86_64-linux-gnu.so 7f9f3a49c000-7f9f3a4a0000 rw-p 00015000 ca:01 280614 /usr/lib/python2.7/lib-dynload/_ssl.x86_64-linux-gnu.so 7f9f3a4a0000-7f9f3a4bf000 r-xp 00000000 ca:01 282792 /usr/local/lib/python2.7/dist-packages/kimpy/neighborlist.so 7f9f3a4bf000-7f9f3a6be000 ---p 0001f000 ca:01 282792 /usr/local/lib/python2.7/dist-packages/kimpy/neighborlist.so 7f9f3a6be000-7f9f3a6bf000 r--p 0001e000 ca:01 282792 /usr/local/lib/python2.7/dist-packages/kimpy/neighborlist.so 7f9f3a6bf000-7f9f3a6c0000 rw-p 0001f000 ca:01 282792 /usr/local/lib/python2.7/dist-packages/kimpy/neighborlist.so 7f9f3a6c0000-7f9f3a6fe000 r-xp 00000000 ca:01 102 /usr/lib/x86_64-linux-gnu/libquadmath.so.0.0.0 7f9f3a6fe000-7f9f3a8fd000 ---p 0003e000 ca:01 102 /usr/lib/x86_64-linux-gnu/libquadmath.so.0.0.0 7f9f3a8fd000-7f9f3a8fe000 r--p 0003d000 ca:01 102 /usr/lib/x86_64-linux-gnu/libquadmath.so.0.0.0 7f9f3a8fe000-7f9f3a8ff000 rw-p 0003e000 ca:01 102 /usr/lib/x86_64-linux-gnu/libquadmath.so.0.0.0 7f9f3a8ff000-7f9f3aa28000 r-xp 00000000 ca:01 6301 /usr/lib/x86_64-linux-gnu/libgfortran.so.3.0.0 7f9f3aa28000-7f9f3ac27000 ---p 00129000 ca:01 6301 /usr/lib/x86_64-linux-gnu/libgfortran.so.3.0.0 7f9f3ac27000-7f9f3ac28000 r--p 00128000 ca:01 6301 /usr/lib/x86_64-linux-gnu/libgfortran.so.3.0.0 7f9f3ac28000-7f9f3ac2a000 rw-p 00129000 ca:01 6301 /usr/lib/x86_64-linux-gnu/libgfortran.so.3.0.0 7f9f3ac2a000-7f9f3ac34000 r-xp 00000000 ca:01 305018 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_nnls.so 7f9f3ac34000-7f9f3ae34000 ---p 0000a000 ca:01 305018 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_nnls.so 7f9f3ae34000-7f9f3ae35000 rw-p 0000a000 ca:01 305018 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_nnls.so 7f9f3ae35000-7f9f3ae37000 rw-p 0001c000 ca:01 305018 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_nnls.so 7f9f3ae37000-7f9f3ae3a000 r-xp 00000000 ca:01 305060 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_zeros.so 7f9f3ae3a000-7f9f3b039000 ---p 00003000 ca:01 305060 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_zeros.so 7f9f3b039000-7f9f3b03a000 rw-p 00002000 ca:01 305060 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_zeros.so 7f9f3b03a000-7f9f3b07a000 rw-p 00000000 00:00 0 7f9f3b07a000-7f9f3b0a1000 r-xp 00000000 ca:01 305085 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_lsq/givens_elimination.so 7f9f3b0a1000-7f9f3b2a0000 ---p 00027000 ca:01 305085 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_lsq/givens_elimination.so 7f9f3b2a0000-7f9f3b2a3000 rw-p 00026000 ca:01 305085 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_lsq/givens_elimination.so 7f9f3b2a3000-7f9f3b2a4000 rw-p 00000000 00:00 0 7f9f3b2a4000-7f9f3b2c3000 r-xp 00000000 ca:01 305013 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_minpack.so 7f9f3b2c3000-7f9f3b4c3000 ---p 0001f000 ca:01 305013 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_minpack.so 7f9f3b4c3000-7f9f3b4c4000 rw-p 0001f000 ca:01 305013 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_minpack.so 7f9f3b4c4000-7f9f3b4c6000 rw-p 00031000 ca:01 305013 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_minpack.so 7f9f3b4c6000-7f9f3b506000 rw-p 00000000 00:00 0 7f9f3b506000-7f9f3b51d000 r-xp 00000000 ca:01 305059 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_slsqp.so 7f9f3b51d000-7f9f3b71d000 ---p 00017000 ca:01 305059 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_slsqp.so 7f9f3b71d000-7f9f3b71e000 rw-p 00017000 ca:01 305059 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_slsqp.so 7f9f3b71e000-7f9f3b720000 rw-p 0002c000 ca:01 305059 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_slsqp.so 7f9f3b720000-7f9f3b73e000 r-xp 00000000 ca:01 305016 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_cobyla.so 7f9f3b73e000-7f9f3b93e000 ---p 0001e000 ca:01 305016 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_cobyla.so 7f9f3b93e000-7f9f3b93f000 rw-p 0001e000 ca:01 305016 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_cobyla.so 7f9f3b93f000-7f9f3b941000 rw-p 00035000 ca:01 305016 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_cobyla.so 7f9f3b941000-7f9f3b94d000 r-xp 00000000 ca:01 305014 /usr/local/lib/python2.7/dist-packages/scipy/optimize/moduleTNC.so 7f9f3b94d000-7f9f3bb4c000 ---p 0000c000 ca:01 305014 /usr/local/lib/python2.7/dist-packages/scipy/optimize/moduleTNC.so 7f9f3bb4c000-7f9f3bb4d000 rw-p 0000b000 ca:01 305014 /usr/local/lib/python2.7/dist-packages/scipy/optimize/moduleTNC.so 7f9f3bb4d000-7f9f3bb7b000 r-xp 00000000 ca:01 305048 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_group_columns.so 7f9f3bb7b000-7f9f3bd7a000 ---p 0002e000 ca:01 305048 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_group_columns.so 7f9f3bd7a000-7f9f3bd7d000 rw-p 0002d000 ca:01 305048 /usr/local/lib/python2.7/dist-packages/scipy/optimize/_group_columns.so 7f9f3bd7d000-7f9f3bdbe000 rw-p 00000000 00:00 0 7f9f3bdbe000-7f9f3bdd8000 r-xp 00000000 ca:01 304937 /usr/local/lib/python2.7/dist-packages/scipy/integrate/lsoda.so 7f9f3bdd8000-7f9f3bfd7000 ---p 0001a000 ca:01 304937 /usr/local/lib/python2.7/dist-packages/scipy/integrate/lsoda.so 7f9f3bfd7000-7f9f3bfd9000 rw-p 00019000 ca:01 304937 /usr/local/lib/python2.7/dist-packages/scipy/integrate/lsoda.so 7f9f3bfd9000-7f9f3bfdc000 rw-p 00033000 ca:01 304937 /usr/local/lib/python2.7/dist-packages/scipy/integrate/lsoda.so 7f9f3bfdc000-7f9f3bff7000 r-xp 00000000 ca:01 304932 /usr/local/lib/python2.7/dist-packages/scipy/integrate/_dop.so 7f9f3bff7000-7f9f3c1f7000 ---p 0001b000 ca:01 304932 /usr/local/lib/python2.7/dist-packages/scipy/integrate/_dop.so 7f9f3c1f7000-7f9f3c1f9000 rw-p 0001b000 ca:01 304932 /usr/local/lib/python2.7/dist-packages/scipy/integrate/_dop.so 7f9f3c1f9000-7f9f3c1fb000 rw-p 00037000 ca:01 304932 /usr/local/lib/python2.7/dist-packages/scipy/integrate/_dop.so 7f9f3c1fb000-7f9f3c22d000 r-xp 00000000 ca:01 304939 /usr/local/lib/python2.7/dist-packages/scipy/integrate/vode.so 7f9f3c22d000-7f9f3c42d000 ---p 00032000 ca:01 304939 /usr/local/lib/python2.7/dist-packages/scipy/integrate/vode.so 7f9f3c42d000-7f9f3c42f000 rw-p 00032000 ca:01 304939 /usr/local/lib/python2.7/dist-packages/scipy/integrate/vode.so 7f9f3c42f000-7f9f3c430000 rw-p 00000000 00:00 0 7f9f3c430000-7f9f3c433000 rw-p 00051000 ca:01 304939 /usr/local/lib/python2.7/dist-packages/scipy/integrate/vode.so 7f9f3c433000-7f9f3c44e000 r-xp 00000000 ca:01 304931 /usr/local/lib/python2.7/dist-packages/scipy/integrate/_quadpack.so 7f9f3c44e000-7f9f3c64e000 ---p 0001b000 ca:01 304931 /usr/local/lib/python2.7/dist-packages/scipy/integrate/_quadpack.so 7f9f3c64e000-7f9f3c64f000 rw-p 0001b000 ca:01 304931 /usr/local/lib/python2.7/dist-packages/scipy/integrate/_quadpack.so 7f9f3c64f000-7f9f3c652000 rw-p 00030000 ca:01 304931 /usr/local/lib/python2.7/dist-packages/scipy/integrate/_quadpack.so 7f9f3c652000-7f9f3c668000 r-xp 00000000 ca:01 304947 /usr/local/lib/python2.7/dist-packages/scipy/integrate/_odepack.so 7f9f3c668000-7f9f3c867000 ---p 00016000 ca:01 304947 /usr/local/lib/python2.7/dist-packages/scipy/integrate/_odepack.so 7f9f3c867000-7f9f3c869000 rw-p 00015000 ca:01 304947 /usr/local/lib/python2.7/dist-packages/scipy/integrate/_odepack.so 7f9f3c869000-7f9f3c86c000 rw-p 00024000 ca:01 304947 /usr/local/lib/python2.7/dist-packages/scipy/integrate/_odepack.so 7f9f3c86c000-7f9f3c87d000 r-xp 00000000 ca:01 305611 /usr/local/lib/python2.7/dist-packages/scipy/special/_ellip_harm_2.so 7f9f3c87d000-7f9f3ca7d000 ---p 00011000 ca:01 305611 /usr/local/lib/python2.7/dist-packages/scipy/special/_ellip_harm_2.so 7f9f3ca7d000-7f9f3ca7f000 rw-p 00011000 ca:01 305611 /usr/local/lib/python2.7/dist-packages/scipy/special/_ellip_harm_2.so 7f9f3ca7f000-7f9f3ca83000 rw-p 00050000 ca:01 305611 /usr/local/lib/python2.7/dist-packages/scipy/special/_ellip_harm_2.so 7f9f3ca83000-7f9f3ca89000 r-xp 00000000 ca:01 305624 /usr/local/lib/python2.7/dist-packages/scipy/special/_comb.so 7f9f3ca89000-7f9f3cc89000 ---p 00006000 ca:01 305624 /usr/local/lib/python2.7/dist-packages/scipy/special/_comb.so 7f9f3cc89000-7f9f3cc8a000 rw-p 00006000 ca:01 305624 /usr/local/lib/python2.7/dist-packages/scipy/special/_comb.so 7f9f3cc8a000-7f9f3cd51000 r-xp 00000000 ca:01 305632 /usr/local/lib/python2.7/dist-packages/scipy/special/specfun.so 7f9f3cd51000-7f9f3cf50000 ---p 000c7000 ca:01 305632 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7f9f5810d000-7f9f5810e000 rwxp 00000000 00:00 0 7f9f5810e000-7f9f5810f000 r--p 00025000 ca:01 28876 /lib/x86_64-linux-gnu/ld-2.23.so 7f9f5810f000-7f9f58110000 rw-p 00026000 ca:01 28876 /lib/x86_64-linux-gnu/ld-2.23.so 7f9f58110000-7f9f58111000 rw-p 00000000 00:00 0 7ffe2a7d3000-7ffe2a85e000 rw-p 00000000 00:00 0 [stack] 7ffe2a8f0000-7ffe2a8f3000 r--p 00000000 00:00 0 [vvar] 7ffe2a8f3000-7ffe2a8f5000 r-xp 00000000 00:00 0 [vdso] ffffffffff600000-ffffffffff601000 r-xp 00000000 00:00 0 [vsyscall] Aborted (core dumped) Command exited with non-zero status 134 {"usertime":0.34,"memmax":85344,"memavg":0}