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[lammps-users] Segmentation fault (Core dumped) with fix qeq
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[lammps-users] Segmentation fault (Core dumped) with fix qeq


From: Baig abdullah Al muhit <bamuhit@...16...>
Date: Fri, 18 Aug 2017 21:15:18 +0000 (UTC)

Hello everyone,
I am simulation water box with only 3 SPC water molecules. I want to set charge with fix qeq/point. However, LAMMPS showed segmentation fault when fix qeq/point was invoked. I simulated the water with both bonded and non-bonded (O,H don't have explicit bond). But types of simulations gave me segfault. Here's my code:

units         real
atom_style     full
boundary    p p p
newton         on
dimension    3

read_data     wat.data    

    
fix        1 all qeq/point 1 3.1 1.0e-6 10 param.wat
run        0

param.wat file:
1 8.5 17.99
2 5.32 14.87

Thanks
Baig