Good morning,
I'm trying to run an input file on LAMMPS about the compression of a copper crystal and when i try to do so on the command board, this error message comes up :
"ERROR on proc 0: Cannot open MEAM potential file library.meam (../pair_meamc.cpp:333)
Last command: pair_coeff * * library.meam \{material\} {material}.meam ${material}".
I don't understand why the MEAM potential cannot be opened because i've put my input file and the library.meam file in the same directory. Here is my input file :
# ------------------------ INITIALIZATION ----------------------------
units metal
dimension 3
boundary p p p
atom_style atomic
#--------------------------- VARIABLES ----------------------------------
variable latparam equal 3.61
variable material string Cu
# ----------------------- ATOM DEFINITION ----------------------------
lattice fcc ${latparam}
region whole block 0 10 0 10 0 10
create_box 1 whole
lattice fcc ${latparam} orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
create_atoms 1 region whole
# ------------------------ FORCE FIELDS ------------------------------
pair_style meam
pair_coeff * * library.meam \{material\} {material}.meam ${material}
# ------------------------- SETTINGS ---------------------------------
compute peratom all pe/atom
compute virial all stress/atom NULL
########################### EQUILIBRATION #############################
# Set timestep
reset_timestep 0
timestep 0.005
#Set temperature
velocity all create 300 12345
#Assign fixes
fix 1 all npt temp 300 300 0.5 iso 0 0 5 drag 1
# Set thermo output
thermo 400
thermo_style custom step lx ly lz press pxx pyy pzz pe temp
#Use custom dump for VMD output
dump 1 all custom 250 dump.Cu.equil.* id x y z c_peratom fx fy fz &
c_virial[1] c_virial[2] c_virial[3] c_virial[4] c_virial[5] c_virial[6]
# Run for at least 10 picosecond (assuming 1 fs timestep)
run 4000
unfix 1
undump 1
# Store final cell length for strain calculations
variable tmp equal "lx"
variable L0 equal \{tmp\}
print "Initial Length, L0: {L0}"
########################### DEFORMATION ##################################
reset_timestep 0
#Set fixes
fix 1 all npt temp 300 300 0.5 y 0 0 5 z 0 0 5 drag 1
fix 2 all deform 1 x erate -0.01
# Output strain and stress info to file
# for units metal, pressure is in [bars] = 100 [kPa] = 1/10000 [GPa]
# p2, p3, p4 are in GPa
variable strain equal "(lx - v_L0)/v_L0"
variable p1 equal "v_strain"
variable p2 equal "-pxx/10000"
variable p3 equal "-pyy/10000"
variable p4 equal "-pzz/10000"
fix def1 all print 100 "\{p1\} {p2} \{p3\} {p4}" file Cu_comp_300.1e10.dat screen no
# Use custom dump for VMD output
dump 1 all custom 250 dump.Cu.comp.* id x y z c_peratom fx fy fz &
c_virial[1] c_virial[2] c_virial[3] c_virial[4] c_virial[5] c_virial[6]
# Display thermo
thermo 400
thermo_style custom step v_strain temp v_p2 v_p3 v_p4 ke pe press
run 4000