Dear Axel
Thank you very much for your help, especially for the scope of lammps.
I successfully set a breakpoints like follows:
A warning showed up, is this important?
warning: /etc/gdbinit.d/gdb-heap.py: no such file or directory
zhwzhou@…7386…:~/softwares/lammps-23Oct17/mycase> gdb --args lmp_serial -in in.rhodo
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warning: /etc/gdbinit.d/gdb-heap.py: no such file or directory
Reading symbols from lmp_serial…done.
(gdb) b LAMMPS_NS::PairLJCharmmfswCoulLong::compute
Breakpoint 1 at 0x5c65d0: file …/pair_lj_charmmfsw_coul_long.cpp, line 114.
(gdb)