71 lines
2.0 KiB
Makefile
71 lines
2.0 KiB
Makefile
# Makefile for the q-TIP4P-F examples
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#
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# Copyright (C) 2013, Joshua More and Michele Ceriotti
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#
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# This program is free software: you can redistribute it and/or modify
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# it under the terms of the GNU General Public License as published by
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# the Free Software Foundation, either version 3 of the License, or
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# (at your option) any later version.
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#
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# This program is distributed in the hope that it will be useful,
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# but WITHOUT ANY WARRANTY; without even the implied warranty of
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# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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# GNU General Public License for more details.
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#
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# You should have received a copy of the GNU General Public License
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# along with this program. If not, see <http.//www.gnu.org/licenses/>.
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.PHONY: all clean graphene h2o-piglet_2 h2o-piglet_4 h2o-piglet_8 h2o-rpc h2o-pimd
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all: graphene h2o-piglet_2 h2o-piglet_4 h2o-piglet_8 h2o-rpc h2o-pimd
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LAMMPS:=../../../../../src/lmp_ubuntu
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IPI:=../../../i-pi
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define run_lammps
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for i in `seq 1 $1`; do \
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$(LAMMPS) < $2 & \
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done;
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endef
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-include make.in
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graphene:
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cd graphene; $(IPI) input.xml & \
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sleep 20; \
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$(call run_lammps,4,in.kappa.Graphene) \
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wait
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h2o-piglet_2:
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cd h2o-piglet.2; $(IPI) input.xml & sleep 5; \
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$(call run_lammps,2,in.water) \
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wait
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h2o-piglet_4:
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cd h2o-piglet.4; $(IPI) input.xml & sleep 5; \
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$(call run_lammps,4,in.water) \
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wait
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h2o-piglet_8:
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cd h2o-piglet.8; $(IPI) input.xml & sleep 5; \
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$(call run_lammps,4,in.water) \
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wait
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h2o-pimd:
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cd h2o-pimd; $(IPI) input.xml & sleep 5; \
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$(call run_lammps,4,in.water) \
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wait
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h2o-rpc:
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cd h2o-pimd-rpc; $(IPI) input.xml & sleep 5; \
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$(call run_lammps,4,in.water_shortrange) \
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$(call run_lammps,1,in.water_longrange) \
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wait
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clean:
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rm -f */gle_lammps.* */RESTART */EXIT */log.lammps; \
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cd h2o-pimd; \
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rm -f RESTART EXIT log.lammps no_rpc.*; cd ..; \
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cd h2o-pimd-rpc; \
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rm -f RESTART EXIT log.lammps rpc.*; cd ..; \
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cd graphene; \
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rm -f graph.* RESTART EXIT log.lammps graphene.lammpstraj nohup.out; cd ..
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