Dear Steve,
Lammps has some error when the Neighbours list build in "compute cna/atom"
command.
Error message is:
[claster:21984] *** Process received signal ***
[claster:21984] Signal: Segmentation fault (11)
[claster:21984] Signal code: Address not mapped (1)
[claster:21984] Failing at address: 0x11eda4ee4
[claster:21984] [ 0] /lib64/libpthread.so.0 [0x34aa40eb10]
[claster:21984] [ 1]
/home/sas/bin/lmp_linux(_ZN9LAMMPS_NS8Neighbor8full_binEPNS_9NeighListE+0x2c1)
[0x55ab5f]
[claster:21984] [ 2]
/home/sas/bin/lmp_linux(_ZN9LAMMPS_NS8Neighbor9build_oneEi+0x192)
[0x555168]
[claster:21984] [ 3]
/home/sas/bin/lmp_linux(_ZN9LAMMPS_NS14ComputeCNAAtom15compute_peratomEv+0x111)
[0x46e05d]
[claster:21984] [ 4]
/home/sas/bin/lmp_linux(_ZN9LAMMPS_NS10DumpCustom5countEv+0x13d)
[0x4a6861]
[claster:21984] [ 5]
/home/sas/bin/lmp_linux(_ZN9LAMMPS_NS4Dump5writeEv+0x139) [0x4a2999]
[claster:21984] [ 6]
/home/sas/bin/lmp_linux(_ZN9LAMMPS_NS6Output5writeEl+0xb6) [0x5663ba]
[claster:21984] [ 7]
/home/sas/bin/lmp_linux(_ZN9LAMMPS_NS6Verlet3runEi+0x3f5) [0x6033fb]
[claster:21984] [ 8]
/home/sas/bin/lmp_linux(_ZN9LAMMPS_NS3Run7commandEiPPc+0x701) [0x5e6065]
[claster:21984] [ 9]
/home/sas/bin/lmp_linux(_ZN9LAMMPS_NS5Input15execute_commandEv+0xfe0)
[0x537486]
[claster:21984] [10]
/home/sas/bin/lmp_linux(_ZN9LAMMPS_NS5Input4fileEv+0x2b6) [0x537ea8]
[claster:21984] [11] /home/sas/bin/lmp_linux(main+0x5f) [0x54023b]
[claster:21984] [12] /lib64/libc.so.6(__libc_start_main+0xf4) [0x34a981d994]
[claster:21984] [13] /home/sas/bin/lmp_linux(__gxx_personality_v0+0x1f9)
[0x453b29]
[claster:21984] *** End of error message ***
Segmentation fault
Input files are in attachements. Have You any suggestion to fix the problem?
Aleexander Vorontsov
in.1 (817 Bytes)
Cu_u3.eam (35.6 KB)
crd.lmp (69.8 KB)