Dear lammps users,
Currently I’m trying to calculate thermal conductance with MEAM potentials using direct method.
After NVT calculation, NVE calculation fail to run without any error message in output file.
It ran well with other systems. I don’t know what is the problem.
I can only find message below.
[rm1827:07152] *** Process received signal ***
[rm1827:07152] Signal: Bus error (7)
[rm1827:07152] Signal code: (128)
[rm1827:07152] Failing at address: (nil)
[rm1827:07152] [ 0] /lib64/libpthread.so.0 [0x2b64afd524c0]
[rm1827:07152] [ 1] /apps/x86_64/mpi/openmpi/intel-11.1-f064-c064/openmpi-1.4.1_oobpr/lib/libopen-pal.so.0(o
pal_memory_ptmalloc2_int_free+0xaa) [0x2b64b0c7e77a]
[rm1827:07152] [ 2] /apps/x86_64/mpi/openmpi/intel-11.1-f064-c064/openmpi-1.4.1_oobpr/lib/libopen-pal.so.0 [
0x2b64b0c82e70]
[rm1827:07152] [ 3] /lib64/libc.so.6(cfree+0x27) [0x2b64b25fb8a7]
[rm1827:07152] [ 4] /home/wnchoi/bin/lmp_openmpi [0x554602]
[rm1827:07152] [ 5] /home/wnchoi/bin/lmp_openmpi [0x43dd97]
[rm1827:07152] [ 6] /home/wnchoi/bin/lmp_openmpi [0x65964d]
[rm1827:07152] [ 7] /home/wnchoi/bin/lmp_openmpi [0x638263]
[rm1827:07152] [ 8] /home/wnchoi/bin/lmp_openmpi [0x549d96]
[rm1827:07152] [ 9] /home/wnchoi/bin/lmp_openmpi [0x546f08]
[rm1827:07152] [10] /home/wnchoi/bin/lmp_openmpi [0x55435d]
[rm1827:07152] [11] /lib64/libc.so.6(__libc_start_main+0xf4) [0x2b64b25a3974]
[rm1827:07152] [12] /home/wnchoi/bin/lmp_openmpi [0x407289]
[rm1827:07152] *** End of error message ***