Hi Everyone,
I am having a few problems while using the SiC_Erhart-Albe.tersoff potential, and with other Tersoff potentials. The error messages are similar to those that came up recently for PRD package (which I'm not using):
[almac02:97071] *** Process received signal ***
[almac02:97071] Signal: Segmentation fault (11)
[almac02:97071] Signal code: Address not mapped (1)
[almac02:97071] Failing at address: 0x113f3c450
[almac02:97071] [ 0] 2 libSystem.B.dylib 0x00007fff8146e14a _sigtramp + 26
[almac02:97071] [ 1] 3 ??? 0x00000001017d1968 0x0 + 4319943016
[almac02:97071] [ 2] 4 lmp_mac_15Feb10_m64 0x000000010014cdf7 _ZN9LAMMPS_NS11PairTersoff7computeEii + 2821
[almac02:97071] [ 3] 5 lmp_mac_15Feb10_m64 0x0000000100180d99 _ZN9LAMMPS_NS6Verlet3runEi + 611
[almac02:97071] [ 4] 6 lmp_mac_15Feb10_m64 0x000000010016b61c _ZN9LAMMPS_NS3Run7commandEiPPc + 1716
[almac02:97071] [ 5] 7 lmp_mac_15Feb10_m64 0x00000001000d6380 _ZN9LAMMPS_NS5Input15execute_commandEv + 3956
[almac02:97071] [ 6] 8 lmp_mac_15Feb10_m64 0x00000001000d6e46 _ZN9LAMMPS_NS5Input4fileEv + 732
[almac02:97071] [ 7] 9 lmp_mac_15Feb10_m64 0x00000001000db22e main + 76
[almac02:97071] [ 8] 10 lmp_mac_15Feb10_m64 0x00000001000011ec start + 52
[almac02:97071] [ 9] 11 ??? 0x0000000000000001 0x0 + 1
[almac02:97071] *** End of error message ***
I am using the latest version of LAMMPS, but have tried a few different versions. It seems to be in part dependent on the cross-section of the simulation box as it fails for some but not for others e.g.
region box block 0 30 0 30 0 120 #will fail
region box block 0 29 0 29 0 120 #will work
We have also run into problems changing other parameters so we don't think it is a memory allocation issue.
Has anyone else run into this?
Regards,
Matt