Troubles with ewald/n package

Hi all

I have just built LAMMPS with the optional ewald/n package, which should support the
buck/coul pair style. Apparently it went on fine: I see it's installed when I type
"make package-status". However I get the message "ERROR: Invalid pair style" when
launch a run. If I change the pair style to buck/coul/long with the proper cutoffs,
then I get "ERROR: Invalid kspace style".

Any help?

Thanks in advance

Juanjo

Here is my script:

units metal
atom_style charge
atom_modify map array sort 0 10.0
neighbor 2.0 bin
neigh_modify delay 0 every 1 check no
boundary p p p

lattice custom 20.520 a1 1 0 0 a2 0 1.1855 0 a3 0 0 6.326 basis 0 0 0

read_data sigma5.dat

#Create groups

... 6 groups, several regions and more...

mass 1 91.22
mass 2 15.99
mass 3 91.22
mass 4 15.99
mass 5 88.91
mass 6 88.91

pair_style buck/coul long long 4.0 10.0
pair_modify shift yes
pair_coeff 1 1 0.0 10.0 0.0
pair_coeff 1 2 1502.11 0.3477 5.1
pair_coeff 1 3 0.0 10.0 0.0
pair_coeff 1 4 1502.11 0.3477 5.1
pair_coeff 1 5 0.0 10.0 0.0
pair_coeff 1 6 0.0 10.0 0.0
pair_coeff 2 2 9547.96 0.2192 32.0
pair_coeff 2 3 1502.11 0.3477 5.1
pair_coeff 2 4 9547.96 0.2192 32.0
pair_coeff 2 5 1766.4 0.33849 19.43
pair_coeff 2 6 1766.4 0.33849 19.43
pair_coeff 3 3 0.0 10.0 0.0
pair_coeff 3 4 1502.11 0.3477 5.1
pair_coeff 3 5 0.0 10.0 0.0
pair_coeff 3 6 0.0 10.0 0.0
pair_coeff 4 4 9547.96 0.2192 32.0
pair_coeff 4 5 1766.4 0.33849 19.43
pair_coeff 4 6 1766.4 0.33849 19.43
pair_coeff 5 * 0.0 10.0 0.0
pair_coeff 6 * 0.0 10.0 0.0
kspace_style ewald/n 1.0e-4

thermo_style custom step temp etotal press lx ly lz vol
thermo 100
thermo_modify lost warn

... Fixes, dumps and stuff...

Juan J. Meléndez Martí­nez
Associate Professor
Department of Physics
University of Extremadura
Avda. de Elvas, s/n 06006 Badajoz (Spain)
Tfno.: 924 28 96 55
Fax: 924 28 96 51
e-mail: [email protected]

Are the files ewald_n.h and ewald_n.cpp in
the src dir? And did you build LAMMPS with
them in the src dir? If so, the *.h file should
also be listed in style_kspace.h. If not,
you did something wrong and the error
is expected.

Steve