Commit JT 111919
- generated fresh log. files in examples - corrected some of the examples
This commit is contained in:
julient31
120
examples/SPIN/run_spin_examples.sh
Executable file
120
examples/SPIN/run_spin_examples.sh
Executable file
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#!/bin/bash
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DATE=19Nov19
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# bfo
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cd bfo/
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../../../src/lmp_serial -in in.spin.bfo
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cp log.lammps log.${DATE}.spin.bfo.g++.1
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mpirun -np 4 ../../../src/lmp_mpi -in in.spin.bfo
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cp log.lammps log.${DATE}.spin.bfo.g++.4
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rm log.lammps log.cite dump*.lammpstrj
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cd ..
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# fcc cobalt
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cd cobalt_fcc/
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../../../src/lmp_serial -in in.spin.cobalt_fcc
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cp log.lammps log.${DATE}.spin.cobalt_fcc.g++.1
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mpirun -np 4 ../../../src/lmp_mpi -in in.spin.cobalt_fcc
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cp log.lammps log.${DATE}.spin.cobalt_fcc.g++.4
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rm log.lammps log.cite dump*.lammpstrj
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cd ..
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# hcp cobalt
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cd cobalt_hcp/
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../../../src/lmp_serial -in in.spin.cobalt_hcp
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cp log.lammps log.${DATE}.spin.cobalt_hcp.g++.1
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mpirun -np 4 ../../../src/lmp_mpi -in in.spin.cobalt_hcp
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cp log.lammps log.${DATE}.spin.cobalt_hcp.g++.4
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rm log.lammps log.cite dump*.lammpstrj
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cd ..
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# dipole spin
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cd dipole_spin/
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../../../src/lmp_serial -in in.spin.iron_dipole_cut
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cp log.lammps log.${DATE}.spin.iron_dipole_cut.g++.1
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mpirun -np 4 ../../../src/lmp_mpi -in in.spin.iron_dipole_cut
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cp log.lammps log.${DATE}.spin.iron_dipole_cut.g++.4
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../../../src/lmp_serial -in in.spin.iron_dipole_ewald
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cp log.lammps log.${DATE}.spin.iron_dipole_ewald.g++.1
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mpirun -np 4 ../../../src/lmp_mpi -in in.spin.iron_dipole_ewald
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cp log.lammps log.${DATE}.spin.iron_dipole_ewald.g++.4
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../../../src/lmp_serial -in in.spin.iron_dipole_pppm
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cp log.lammps log.${DATE}.spin.iron_dipole_pppm.g++.1
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mpirun -np 4 ../../../src/lmp_mpi -in in.spin.iron_dipole_pppm
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cp log.lammps log.${DATE}.spin.iron_dipole_pppm.g++.4
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rm log.lammps log.cite dump*.lammpstrj
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cd ..
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# bcc iron
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cd iron/
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../../../src/lmp_serial -in in.spin.iron
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cp log.lammps log.${DATE}.spin.iron.g++.1
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mpirun -np 4 ../../../src/lmp_mpi -in in.spin.iron
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cp log.lammps log.${DATE}.spin.iron.g++.4
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../../../src/lmp_serial -in in.spin.iron_cubic
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cp log.lammps log.${DATE}.spin.iron_cubic.g++.1
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mpirun -np 4 ../../../src/lmp_mpi -in in.spin.iron_cubic
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cp log.lammps log.${DATE}.spin.iron_cubic.g++.4
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rm log.lammps log.cite dump*.lammpstrj
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cd ..
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# fcc nickel
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cd nickel/
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../../../src/lmp_serial -in in.spin.nickel
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cp log.lammps log.${DATE}.spin.nickel.g++.1
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mpirun -np 4 ../../../src/lmp_mpi -in in.spin.nickel
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cp log.lammps log.${DATE}.spin.nickel.g++.4
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../../../src/lmp_serial -in in.spin.nickel_cubic
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cp log.lammps log.${DATE}.spin.nickel_cubic.g++.1
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mpirun -np 4 ../../../src/lmp_mpi -in in.spin.nickel_cubic
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cp log.lammps log.${DATE}.spin.nickel_cubic.g++.4
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rm log.lammps log.cite dump*.lammpstrj
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cd ..
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# read restart
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cd read_restart/
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../../../src/lmp_serial -in in.spin.write_restart
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cp log.lammps log.${DATE}.spin.write_restart.g++.1
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mpirun -np 4 ../../../src/lmp_mpi -in in.spin.write_restart
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cp log.lammps log.${DATE}.spin.write_restart.g++.4
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../../../src/lmp_serial -in in.spin.restart
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cp log.lammps log.${DATE}.spin.restart.g++.1
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mpirun -np 4 ../../../src/lmp_mpi -in in.spin.restart
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cp log.lammps log.${DATE}.spin.restart.g++.4
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../../../src/lmp_serial -in in.spin.read_data
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cp log.lammps log.${DATE}.spin.read_data.g++.1
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mpirun -np 4 ../../../src/lmp_mpi -in in.spin.read_data
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cp log.lammps log.${DATE}.spin.read_data.g++.4
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rm log.lammps log.cite dump*.lammpstrj
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cd ..
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# setforce
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cd setforce_spin/
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../../../src/lmp_serial -in in.spin.setforce
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cp log.lammps log.${DATE}.spin.setforce.g++.1
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mpirun -np 4 ../../../src/lmp_mpi -in in.spin.setforce
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cp log.lammps log.${DATE}.spin.setforce.g++.4
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rm log.lammps log.cite dump*.lammpstrj
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cd ..
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# spin minimizers
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cd spinmin/
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../../../src/lmp_serial -in in.spin.bfo_min
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cp log.lammps log.${DATE}.spin.bfo_min.g++.1
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mpirun -np 4 ../../../src/lmp_mpi -in in.spin.bfo_min
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cp log.lammps log.${DATE}.spin.bfo_min.g++.4
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../../../src/lmp_serial -in in.spin.bfo_min_cg
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cp log.lammps log.${DATE}.spin.bfo_min_cg.g++.1
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mpirun -np 4 ../../../src/lmp_mpi -in in.spin.bfo_min_cg
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cp log.lammps log.${DATE}.spin.bfo_min_cg.g++.4
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../../../src/lmp_serial -in in.spin.bfo_min_lbfgs
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cp log.lammps log.${DATE}.spin.bfo_min_lbfgs.g++.1
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mpirun -np 4 ../../../src/lmp_mpi -in in.spin.bfo_min_lbfgs
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cp log.lammps log.${DATE}.spin.bfo_min_lbfgs.g++.4
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../../../src/lmp_serial -in in.spin.iron_min
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cp log.lammps log.${DATE}.spin.iron_min.g++.1
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mpirun -np 4 ../../../src/lmp_mpi -in in.spin.iron_min
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cp log.lammps log.${DATE}.spin.iron_min.g++.4
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rm log.lammps log.cite dump*.lammpstrj
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cd ..
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