Thanks, Axel.

In compute reduce, we have mode = *sum* or *min* or *max* or *ave* or *sumsq* or *avesq*

Lets take 3 atom system, using dump command I got fx fy fz component of each atom as below.

Atom fx fy fz

1 f1x f1y f1z

2 f2x f2y f2z

1 f3x f3y f3z

compute allforce all reduce min fx fy fz

compute allforce all reduce max fx fy fz

using thermo style custom c_allforce[1] c_allforce[2] c_allforce[3]

min and max will give smallest and largest force component of an atom [ f1x or f2x or f3x] , [f1y or f2y or f3y] , [f1z or f2z or f3z] corrspond to c_allforce[1], c_allforce[2], c_allforce[3].

compute allforce all reduce sumsq fx fy fz

compute allforce all reduce avesq fx fy fz

using thermo style custom c_allforce[1] c_allforce[2] c_allforce[3]

sumsq will give [f1x^2 + f2x^2 + f3x^2 ], [f1x^2 + f2x^2 + f3x^2 ], [f1x^2 + f2x^2 + f3x^2 ] correspond to c_allforce[1], c_allforce[2], c_allforce[3].

avesq will give [(f1x^2 + f2x^2 + f3x^2)/3 ], [(f1x^2 + f2x^2 + f3x^2)/3 ], [(f1x^2 + f2x^2 + f3x^2)/3 ] correspond to c_allforce[1], c_allforce[2], c_allforce[3].

**All is working fine in same way as above** when i checked the calculation for 576 atoms in excel file but when I used

compute allforce all reduce sum fx fy fz

to get net force in x, y, z direction

using thermo style custom c_allforce[1] c_allforce[2] c_allforce[3]

sum **doesn’t work** in this way [ f1x + f2x + f3x] , [f1y + f2y + f3y] , [f1z + f2z + f3z] corrspond to c_allforce[1], c_allforce[2], c_allforce[3].

Does sum command work in different way ?

How to get net x component force for all atoms?

Thanks,

Ankit