Hello,
I have got a serius problem when I combine compute reduce/region and compute stress/atom using the latest version. The error massage is just “Segmentation fault.”
The following is the script I used, a modification of “in. melt”.
3d Lennard-Jones melt
units lj
atom_style atomic
lattice fcc 0.8442
region box block 0 50 0 50 0 10
create_box 1 box
create_atoms 1 box
mass 1 1.0
velocity all create 3.0 87287
pair_style lj/cut 2.5
pair_coeff 1 1 1.0 1.0 2.5
neighbor 0.3 bin
neigh_modify every 20 delay 0 check no
region ct block 10 25 10 25 2 5 units box
compute stress all stress/atom virial
compute str_ct all reduce/region ct sum c_stress[1] c_stress[2] c_stress[3]
variable P_o equal -(c_str_ct[1]+c_str_ct[2]+c_str_ct[3])
fix 1 all nve
dump id all atom 100 dump.melt
thermo 50
thermo_style custom step temp press v_P_o
run 100
- When I use compute reduce instead of reduce/region, it works fine.
- It worked with older version of Lammps e.g. April, 2010.
- It always happen whether I compile serial version(lmp_serial) or parallel version(lmp_linux).
Please check this whether this also happens in your machine.
Thanks for your attention.
Sangrak Kim