Hi,
I’m using a custom build of lammps-stable_29Oct2020 with some plugins enabled (USER-MEAMC included). But lmp returns ERROR: Cannot open MEAM library file (src/lammps-stable_29Oct2020/src/USER-MEAMC/pair_meamc.cpp:223) when I tried to run the input file. How should I fix this?
Thank you.
This is the content of the input file
$ cat ~/Cu.compression2.in
# Input file for uniaxial compressive loading of single crystal aluminum
# Mark Tschopp, November 2010
# ------------------------ INITIALIZATION ----------------------------
units metal
dimension 3
boundary p p p
atom_style atomic
variable latparam equal 3.61
# ----------------------- ATOM DEFINITION ----------------------------
lattice fcc ${latparam}
region whole block 0 10 0 10 0 10
create_box 1 whole
region upper block INF INF INF INF INF INF units box
lattice fcc ${latparam} orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
create_atoms 1 region upper
# ------------------------ FORCE FIELDS ------------------------------
pair_style meam
pair_coeff * * library.meam Cu Cu.meam Cu
# ------------------------- SETTINGS ---------------------------------
compute csym all centro/atom fcc
compute peratom all pe/atom
######################################
# EQUILIBRATION
reset_timestep 0
timestep 0.001
velocity all create 300 12345 mom yes rot no
fix 1 all npt temp 300 300 1 iso 0 0 1 drag 1
# Set thermo output
thermo 100
thermo_style custom step lx ly lz press pxx pyy pzz pe temp
# Run for at least 10 picosecond (assuming 1 fs timestep)
run 20000
unfix 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
fix 1 all npt temp 300 300 1 y 0 0 1 z 0 0 1 drag 1
variable srate equal 1.0e10
variable srate1 equal "-v_srate / 1.0e12"
fix 2 all deform 1 x erate ${srate1} units box remap x
# Output strain and stress info to file
# for units metal, pressure is in [bars] = 100 [kPa] = 1/10000 [GPa]
# p2, p3, p4 are in GPa
variable strain equal "(lx - v_L0)/v_L0"
variable p1 equal "v_strain"
variable p2 equal "-pxx/10000"
variable p3 equal "-pyy/10000"
variable p4 equal "-pzz/10000"
fix def1 all print 100 "${p1} ${p2} ${p3} ${p4}" file Al_comp_100.def1.txt screen no
# Use cfg for AtomEye
dump 1 all custom 250 dump.Cu.comp.* id xs ys zs c_csym c_peratom fx fy fz
# Display thermo
thermo 1000
thermo_style custom step v_strain temp v_p2 v_p3 v_p4 ke pe press
run 20000
######################################
# SIMULATION DONE
print "All done"
Turns out LAMMPS_POTENTIALS was not set. I fixed it by executing
export LAMMPS_POTENTIALS=/usr/share/lammps/potentials/
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What is the solutions