X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-HCD-5D%2FMakefile-MPICH-ifort-okeanos;h=f3ff01853b6c5d5a78b5915d802a7b2823045082;hb=b6b1679cfe492bd5b73e03410f82917bd9c3aa7b;hp=182e4eda36d1fbb73cca6869224d374e27ee7a68;hpb=fb31d9cf50bce06dbfae62c92c11f3e9c836f405;p=unres.git diff --git a/source/cluster/wham/src-HCD-5D/Makefile-MPICH-ifort-okeanos b/source/cluster/wham/src-HCD-5D/Makefile-MPICH-ifort-okeanos index 182e4ed..f3ff018 100644 --- a/source/cluster/wham/src-HCD-5D/Makefile-MPICH-ifort-okeanos +++ b/source/cluster/wham/src-HCD-5D/Makefile-MPICH-ifort-okeanos @@ -24,13 +24,14 @@ object = main_clust.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o read_constr_homology.o all: no_option - @echo "Specify force field: GAB, 4P or E0LL2Y" + @echo "Specify force field: GAB, 4P, E0LL2Y or NEWCORR" no_option: GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \ - -DCLUST -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -GAB: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_GAB-SAXS-MRAMB-Bfac.exe + -DCLUST -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC \ + -DFOURBODY +GAB: BIN = ~/bin/unres_clustMD_ifort_MPICH-okeanos_GAB-HCD.exe GAB: ${object} xdrf/libxdrf.a gcc -o compinfo compinfo.c ./compinfo | true @@ -38,8 +39,9 @@ GAB: ${object} xdrf/libxdrf.a $(FC) ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN} 4P: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \ - -DCLUST -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -4P: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_4P-SAXS-homologyexe + -DCLUST -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC \ + -DFOURBODY +4P: BIN = ~/bin/unres_clustMD_ifort_MPICH-okeanos_4P-HCD.exe 4P: ${object} xdrf/libxdrf.a gcc -o compinfo compinfo.c ./compinfo | true @@ -47,8 +49,8 @@ GAB: ${object} xdrf/libxdrf.a $(FC) ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN} E0LL2Y: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI -DPROCOR \ - -DCLUST -DSPLITELE -DLANG0 -E0LL2Y: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_E0LL2Y-SAXS-homology.exe + -DCLUST -DSPLITELE -DFOURBODY +E0LL2Y: BIN = ~/bin/unres_clustMD_ifort_MPICH-okeanos_E0LL2Y-HCD.exe E0LL2Y: ${object} xdrf/libxdrf.a gcc -o compinfo compinfo.c ./compinfo | true @@ -56,8 +58,8 @@ E0LL2Y: ${object} xdrf/libxdrf.a $(FC) ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN} E0LL2Y_DFA: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI -DPROCOR \ - -DCLUST -DSPLITELE -DLANG0 -DDFA -E0LL2Y_DFA: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_E0LL2Y-SAXS-homology-DFA.exe + -DCLUST -DSPLITELE -DFOURBODY -DDFA +E0LL2Y_DFA: BIN = ~/bin/unres_clustMD_ifort_MPICH-okeanos_E0LL2Y-HCD-DFA.exe E0LL2Y_DFA: ${object} dfa.o xdrf/libxdrf.a gcc -o compinfo compinfo.c ./compinfo | true @@ -67,7 +69,7 @@ E0LL2Y_DFA: ${object} dfa.o xdrf/libxdrf.a NEWCORR: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI -DPROCOR \ -DCORRCD -DCLUST -DSPLITELE -DLANG0 -DNEWCORR #-DCLUST -DSPLITELE -DLANG0 -DNEWCORR -NEWCORR: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_NEWCORR-fouriertor-corrCD-SAXS-homology.exe +NEWCORR: BIN = ~/bin/unres_clustMD_ifort_MPICH-okeanos_SC-HCD.exe #NEWCORR: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_NEWCORR-fouriertor-test.exe NEWCORR: ${object} xdrf/libxdrf.a gcc -o compinfo compinfo.c @@ -78,7 +80,7 @@ NEWCORR: ${object} xdrf/libxdrf.a NEWCORR_DFA: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI -DPROCOR \ -DCORRCD -DCLUST -DSPLITELE -DLANG0 -DNEWCORR -DDFA #-DCLUST -DSPLITELE -DLANG0 -DNEWCORR -NEWCORR_DFA: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_NEWCORR-fouriertor-corrCD-SAXS-homology-DFA.exe +NEWCORR_DFA: BIN = ~/bin/unres_clustMD_ifort_MPICH-okeanos_SC-HCD-DFA.exe #NEWCORR: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_NEWCORR-fouriertor-test.exe NEWCORR_DFA: ${object} dfa.o xdrf/libxdrf.a gcc -o compinfo compinfo.c