X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc-HCD-5D%2FMakefile_MPICH_ifort-okeanos;h=1efd0460baf69cd4b36a5c801e729055957060ef;hb=946fab962642f90563ed751be8d845abc23f7457;hp=a7ea506356f004011e1be1ec126aad35b81ca111;hpb=5836ecdab5a8b95f079bbf6e07374dee3fce8a26;p=unres.git diff --git a/source/unres/src-HCD-5D/Makefile_MPICH_ifort-okeanos b/source/unres/src-HCD-5D/Makefile_MPICH_ifort-okeanos index a7ea506..1efd046 100644 --- a/source/unres/src-HCD-5D/Makefile_MPICH_ifort-okeanos +++ b/source/unres/src-HCD-5D/Makefile_MPICH_ifort-okeanos @@ -27,7 +27,7 @@ PP = /lib/cpp -P all: no_option - @echo "Specify force field: GAB, 4P or E0LL2Y" + @echo "Specify force field: GAB, 4P, E0LL2Y or NEWCORR" .SUFFIXES: .F .F.o: @@ -38,7 +38,7 @@ object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \ matmult.o readrtns_CSA.o parmread.o gen_rand_conf.o printmat.o map.o \ pinorm.o randgens.o rescode.o intcor.o timing.o misc.o \ cart2intgrad.o checkder_p.o contact_cp econstr_local.o econstr_qlike.o \ - econstrq-PMF.o PMFprocess.o energy_p_new_barrier.o \ + econstrq-PMF.o PMFprocess.o energy_p_new_barrier.o make_xx_list.o \ energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.o \ cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \ mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o \ @@ -59,7 +59,7 @@ no_option: GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \ -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DFOURBODY -GAB: BIN = ~/bin/unres-ms_ifort_MPICH-okeanos_GAB-HCD.exe +GAB: BIN = ~/bin/unres_ifort_MPICH-okeanos_GAB-HCD.exe GAB: ${object} xdrf/libxdrf.a gcc -o compinfo compinfo.c ./compinfo | true @@ -68,7 +68,7 @@ GAB: ${object} xdrf/libxdrf.a 4P: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \ -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DFOURBODY -4P: BIN = ~/bin/unres-ms_KCC_ifort_MPICH-okeanos_4P-HCD.exe +4P: BIN = ~/bin/unres_ifort_MPICH-okeanos_4P-HCD.exe 4P: ${object} xdrf/libxdrf.a gcc -o compinfo compinfo.c ./compinfo | true @@ -77,7 +77,7 @@ GAB: ${object} xdrf/libxdrf.a E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \ -DSPLITELE -DLANG0 -DFOURBODY -E0LL2Y: BIN = ~/bin/unres-ms_ifort_MPICH-okeanos_E0LL2Y-HCD.exe +E0LL2Y: BIN = ~/bin/unres_ifort_MPICH-okeanos_E0LL2Y-HCD.exe E0LL2Y: ${object} xdrf/libxdrf.a gcc -o compinfo compinfo.c ./compinfo | true @@ -86,7 +86,7 @@ E0LL2Y: ${object} xdrf/libxdrf.a NEWCORR: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \ -DSPLITELE -DLANG0 -DNEWCORR -DCORRCD #-DFOURBODY #-DMYGAUSS #-DTIMING -NEWCORR: BIN = ~/bin/unres-ms_ifort_MPICH-okeanos_SC-HCD.exe +NEWCORR: BIN = ~/bin/unres_ifort_MPICH-okeanos_SC-HCD.exe NEWCORR: ${object} xdrf/libxdrf.a gcc -o compinfo compinfo.c ./compinfo | true @@ -95,7 +95,7 @@ NEWCORR: ${object} xdrf/libxdrf.a NEWCORR5D: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \ -DSPLITELE -DLANG0 -DNEWCORR -DCORRCD -DFIVEDIAG -DLBFGS #-DMYGAUSS #-DTIMING -NEWCORR5D: BIN = ~/bin/unres-ms_ifort_MPICH-okeanos_SC-HCD5-40.exe +NEWCORR5D: BIN = ~/bin/unres_ifort_MPICH-okeanos_SC-HCD5-l.exe NEWCORR5D: ${object_lbfgs} ${object} fdisy.o fdiag.o machpd.o kinetic_CASC.o xdrf/libxdrf.a gcc -o compinfo compinfo.c ./compinfo | true @@ -104,7 +104,7 @@ NEWCORR5D: ${object_lbfgs} ${object} fdisy.o fdiag.o machpd.o kinetic_CASC.o xdr NEWCORR_DFA: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \ -DSPLITELE -DLANG0 -DNEWCORR -DCORRCD -DDFA #-DMYGAUSS #-DTIMING -NEWCORR_DFA: BIN = ~/bin/unres-ms_ifort_MPICH-okeanos_SC-HCD-DFA.exe +NEWCORR_DFA: BIN = ~/bin/unres_ifort_MPICH-okeanos_SC-HCD-DFA.exe NEWCORR_DFA: ${object} dfa.o xdrf/libxdrf.a gcc -o compinfo compinfo.c ./compinfo | true @@ -113,7 +113,7 @@ NEWCORR_DFA: ${object} dfa.o xdrf/libxdrf.a NEWCORR5D_DFA: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \ -DSPLITELE -DLANG0 -DNEWCORR -DCORRCD -DFIVEDIAG -DLBFGS -DDFA #-DMYGAUSS #-DTIMING -NEWCORR5D_DFA: BIN = ~/bin/unres-ms_ifort_MPICH-okeanos_SC-HCD5-DFA.exe +NEWCORR5D_DFA: BIN = ~/bin/unres_ifort_MPICH-okeanos_SC-HCD5-DFA.exe NEWCORR5D_DFA: ${object_lbfgs} ${object} dfa.o fdisy.o fdiag.o machpd.o kinetic_CASC.o xdrf/libxdrf.a gcc -o compinfo compinfo.c ./compinfo | true