ERROR of not a valid integer

[peterzhang]

Hi, all!

I’m running a LAMMPS scripts including 3 atomic types Al Ni Co, respectively. I chose the Mishin-2015-Al-Ni-Co.eam.alloy potential. When I executed the scripts, I reveived an error said ‘ERROR on proc 0: Not a valid integer number: ‘<!–[if’ (src/MANYBODY/pair_eam_alloy.cpp:188)’. Is it beacuse of the MANYBODY package? Do I need to compile the lammps software?

Current, I am using the lmp_daily (LAMMPS (24 Dec 2020) vesion. And the scripts are shown as below:

#kim_init EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000 metal
units metal
boundary p s s
atom_style atomic
dimension 3

read_data NiCoAl4.lmp

mass 1 58.93319500 # Co
mass 2 58.69340000 # Ni
mass 3 26.98153860 # Al

pair_style eam/alloy
pair_coeff * * Mishin_updated-Ni-Al-Co-2013.eam.alloy Co Ni Al
#kim_interactions Co Ni Al
compute stress all stress/atom NULL
compute sxx all reduce sum c_stress[1]
variable stress equal c_sxx/(11.110^4count(all))
thermo_style custom step temp epair etotal press vol lx v_stress

neighbor 0.3 bin
neigh_modify delay 10

velocity all create 300.0 49284
thermo 10000
fix 1 all nve
fix 2 all temp/rescale 100 300.0 300.0 0.1 0.5
run 50000
unfix 1
unfix 2
write_data NW-nve.data

reset_timestep 0
thermo 10000
fix 1 all npt temp 300.0 300.0 0.1 x 0.0 0.0 0.1
run 50000
unfix 1
write_data NW-npt.data

shell mkdir tensile
shell cd tensile

reset_timestep 0
thermo 1000
timestep 0.001

fix A all nvt temp 300.0 300.0 0.1 drag 1.5
fix ten all deform 1 x erate 0.001 units box

dump 1 all cfg 100 AlNiCo..cfg mass type xs ys zs id type*
run 100000

undump 1
unfix ten
unfix A
shell cd …
print “All done!”

BTW, it works with KIM interactions, but failed with eam/alloy.

[akohlmey]

@peterzhang

When I executed the scripts, I reveived an error said ‘ERROR on proc 0: Not a valid integer number: ‘<!–[if’ (src/MANYBODY/pair_eam_alloy.cpp:188)’.

I cannot reproduce this error. That potential file works fine for me. I suspect you corrupted the format when you downloaded the potential file. Please make sure that you do a “real download” (often this is done via a right click on the link and using “save link as…”) and not cut-n-paste the file into a text editor.
with the latter you may corrupt the format or copy non-ASCII characters (since web browsers often replace ASCII characters with similar looking non-ASCII versions for better readability of the text). LAMMPS requires ASCII encoding and a perfect match of the documented file format.

@peterzhang

Do I need to compile the lammps software?

No.

[peterzhang]

@akohlmey

I cannot reproduce this error. That potential file works fine for me. I suspect you corrupted the format when you downloaded the potential file. Please make sure that you do a “real download” (often this is done via a right click on the link and using “save link as…”) and not cut-n-paste the file into a text editor.
with the latter you may corrupt the format or copy non-ASCII characters (since web browsers often replace ASCII characters with similar looking non-ASCII versions for better readability of the text). LAMMPS requires ASCII encoding and a perfect match of the documented file format.

You are right. Thank you very much.
I did use the right click and save the link as before. Maybe I copy and paste the file before the downloading finished.
I tried again. It works well this time.