Hello Everyone,
Before I ask my question, I would like you to thank everyone who has
tried to develop LAMMPS. This software is awesome! I am a newbie in
LAMMPS.
I write a script for thermostating and barostating a system, it works well in a serial run on my PC. But when submit it to the server of our insititute, it doesn't work. If I comment out the command "fix 2 all npt temp 300.0 300.0 0.2 aniso 0.0 0.0 0.2", and use a "fix
nvt" fix, it works again. I have also tried "fix 3 all press/berendsen aniso 0.0 0.0 0.2",
and met the same fault as "fix npt":
[head2:25678] *** Process received signal ***
[head2:25678] Signal: Segmentation fault (11)
[head2:25678] Signal code: Address not mapped (1)
[head2:25678] Failing at address: (nil)
[head2:25678] [ 0] /lib64/libpthread.so.0 [0x2b73d1672c00]
[head2:25678] [ 1] lmp(_ZN9LAMMPS_NS8Neighbor5buildEv+0x141) [0x62d005]
[head2:25678] [ 2] lmp(_ZN9LAMMPS_NS6Verlet5setupEv+0x119) [0x76c0c1]
[head2:25678] [ 3] lmp(_ZN9LAMMPS_NS3Run7commandEiPPc+0xce6) [0x745476]
[head2:25678] [ 4] lmp(_ZN9LAMMPS_NS5Input15execute_commandEv+0x250d) [0x5fbcf9]
[head2:25678] [ 5] lmp(_ZN9LAMMPS_NS5Input4fileEv+0x299) [0x5fddab]
[head2:25678] [ 6] lmp(main+0xa7) [0x608477]
[head2:25678] [ 7] /lib64/libc.so.6(__libc_start_main+0xf4) [0x2b73d248c184]
[head2:25678] [ 8] lmp(_ZNSt8ios_base4InitD1Ev+0x49) [0x48fa99]
[head2:25678] *** End of error message ***
How can I fix this problem?
Thank yo in advance for your time and consideration.
Kind regards!
Sincerely,
Meizhen Xiang