Dear Lammps users,
I am trying to run a simulation using particles of different size using the pair_style lj/expand.
The simulation runs fine for systems of up to 15^3 particles.
When I try to run the same simulation using 16^3 or more particles, I get the following error:
Reading data file …
orthogonal box = (0 0 0) to (16 16 16)
1 by 1 by 1 MPI processor grid
reading atoms …
4096 atoms
terminate called after throwing an instance of ‘std::bad_alloc’
what(): std::bad_alloc
*** Process received signal ***
Signal: Aborted (6)
Signal code: (-6)
[ 0] /lib64/libpthread.so.0(+0xf9f0) [0x7f76fb3109f0]
[ 1] /lib64/libc.so.6(gsignal+0x39) [0x7f76f97c74c9]
[ 2] /lib64/libc.so.6(abort+0x148) [0x7f76f97c8958]
[ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x155) [0x7f76fa2ce655]
[ 4] /usr/lib64/libstdc++.so.6(+0x637c6) [0x7f76fa2cc7c6]
[ 5] /usr/lib64/libstdc++.so.6(+0x637f3) [0x7f76fa2cc7f3]
[ 6] /usr/lib64/libstdc++.so.6(+0x63a1e) [0x7f76fa2cca1e]
[ 7] /usr/lib64/libstdc++.so.6(_Znwm+0x7d) [0x7f76fa2ccf1d]
[ 8] /usr/lib64/libstdc++.so.6(_Znam+0x9) [0x7f76fa2ccfb9]
[ 9] lmp_g++(_ZN9LAMMPS_NS8ReadData12pairIJcoeffsEv+0x33) [0xa62583]
[10] lmp_g++(_ZN9LAMMPS_NS8ReadData7commandEiPPc+0x210b) [0xa64ecb]
[11] lmp_g++(_ZN9LAMMPS_NS5Input15command_creatorINS_8ReadDataEEEvPNS_6LAMMPSEiPPc+0x39) [0x1209f69]
[12] lmp_g++(_ZN9LAMMPS_NS5Input15execute_commandEv+0x7c9) [0x1207a79]
[13] lmp_g++(_ZN9LAMMPS_NS5Input4fileEv+0x2f7) [0x1208407]
[14] lmp_g++(main+0x46) [0x66df96]
[15] /lib64/libc.so.6(__libc_start_main+0xf5) [0x7f76f97b3be5]
[16] lmp_g++() [0x676629]
*** End of error message ***
Aborted
Any ideas on how to fix this?
The in. and data. fies are available here:
https://www.dropbox.com/sh/grg5wgfpghwf8j9/AACfyiNbFqp2crRpWU96D8Msa?dl=0
PS I am running LAMMPS (25 Feb 2016-ICMS)
Regards,
Sebastián