in.sds-cpu
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			# lammps input script

			units real
			dimension 3
			atom_style full
			processors * * 1

			read_data DATA.FILE
			include PARM.FILE

			replicate 4 4 1

			kspace_style pppm/cg 0.00001
			kspace_modify order 3

			neighbor 2.0 bin
			neigh_modify delay 4 every 2 check yes

			timestep 10.0

			fix 1 all nvt temp 310.0 310.0 100.0 drag 0.1

			thermo_style custom step pe temp evdwl ecoul spcpu
			thermo 100

			velocity all create 325.0 63443

			run 1000

lammps/bench-nsf/sds/in.sds-cpu6d602130be7fmaster