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=32a0decb1a4a5dd2047e7c678ca7935e2ef85a5b;hb=668a6244b981f429f4498f3b8e0ab34ab35d3984;hp=372453efc519b52eb8b2e2144c3b330cf8c805e4;hpb=48ae9e01d2dd6571fa2cca6c704dc04f86e5fd7b;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 372453e..32a0dec 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:
@@ -37,15 +37,15 @@ all: no_option
 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 \
-        cartder.o checkder_p.o econstr_local.o econstr_qlike.o \
-	econstrq-PMF.o PMFprocess.o energy_p_new_barrier.o \
+        cart2intgrad.o checkder_p.o contact_cp econstr_local.o econstr_qlike.o \
+	econstrq-PMF.o PMFprocess.o energy_p_new_barrier.o make_xx_list \
 	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 \
         eigen.o blas.o add.o entmcm.o minim_mcmf.o \
         together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \
         indexx.o MP.o compare_s1.o prng_32.o \
-        test.o banach.o distfit.o rmsd.o rmscalc.o elecont.o dihed_cons.o \
+        banach.o distfit.o rmsd.o rmscalc.o elecont.o dihed_cons.o \
         sc_move.o local_move.o djacob.o \
         intcartderiv.o lagrangian_lesyng.o\
 	chain_symmetry.o permut.o seq2chains.o iperm.o\
@@ -53,13 +53,13 @@ object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
         surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
 	q_measure.o gnmr1.o mygauss.o ssMD.o
 
-object_lbfgs = inform.o iounit.o keys.o linmin.o math.o minima.o scales.o output.o lbfgs.o search.o 
+object_lbfgs = inform.o iounit.o keys.o linmin.o math.o minima.o scales.o output.o lbfgs.o search.o optsave_dum.o
 
 no_option:
 
 GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
-	-DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
-GAB: BIN = ~/bin/unres-ms_ifort_MPICH-okeanos_GAB-HCD.exe
+	-DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DFOURBODY
+GAB: BIN = ~/bin/unres_ifort_MPICH-okeanos_GAB-HCD.exe
 GAB: ${object} xdrf/libxdrf.a
 	gcc -o compinfo compinfo.c
 	./compinfo | true
@@ -67,8 +67,8 @@ GAB: ${object} xdrf/libxdrf.a
 	${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}
 
 4P: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
-	-DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
-4P: BIN = ~/bin/unres-ms_KCC_ifort_MPICH-okeanos_4P-HCD.exe
+	-DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DFOURBODY
+4P: BIN = ~/bin/unres_ifort_MPICH-okeanos_4P-HCD.exe
 4P: ${object} xdrf/libxdrf.a
 	gcc -o compinfo compinfo.c
 	./compinfo | true
@@ -76,8 +76,8 @@ GAB: ${object} xdrf/libxdrf.a
 	${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}
 
 E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
-	-DSPLITELE -DLANG0
-E0LL2Y: BIN = ~/bin/unres-ms_ifort_MPICH-okeanos_E0LL2Y-HCD.exe
+	-DSPLITELE -DLANG0 -DFOURBODY
+E0LL2Y: BIN = ~/bin/unres_ifort_MPICH-okeanos_E0LL2Y-HCD.exe
 E0LL2Y: ${object} xdrf/libxdrf.a
 	gcc -o compinfo compinfo.c
 	./compinfo | true
@@ -85,35 +85,35 @@ E0LL2Y: ${object} xdrf/libxdrf.a
 	${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}
 
 NEWCORR: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
-	-DSPLITELE -DLANG0 -DNEWCORR -DCORRCD #-DMYGAUSS #-DTIMING
-NEWCORR: BIN = ~/bin/unres-ms_ifort_MPICH-okeanos_SC-HCD.exe
+	-DSPLITELE -DLANG0 -DNEWCORR -DCORRCD #-DFOURBODY #-DMYGAUSS #-DTIMING
+NEWCORR: BIN = ~/bin/unres_ifort_MPICH-okeanos_SC-HCD.exe
 NEWCORR: ${object} xdrf/libxdrf.a
 	gcc -o compinfo compinfo.c
 	./compinfo | true
 	${FC} ${FFLAGS} cinfo.f
-	${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}
+	${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
 
 NEWCORR5D: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
-	-DSPLITELE -DLANG0 -DNEWCORR -DCORRCD -FIVEDIAG -DLBFGS #-DMYGAUSS #-DTIMING
-NEWCORR5D: BIN = ~/bin/unres-ms_ifort_MPICH-okeanos_SC-HCD5.exe
-NEWCORR5D: ${object} ${object_lbfgs} fdisy.o fdiag.o machpd.o kinetic_CASC.o xdrf/libxdrf.a
+	-DSPLITELE -DLANG0 -DNEWCORR -DCORRCD -DFIVEDIAG -DLBFGS #-DMYGAUSS #-DTIMING
+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
 	${FC} ${FFLAGS} cinfo.f
-	${FC} ${OPT} ${object} ${object_lbfgs} fdisy.o fdiag.o machpd.o kinetic_CASC.o cinfo.o ${LIBS}  -o ${BIN}
+	${FC} ${OPT} ${object} ${object_lbfgs} fdisy.o fdiag.o machpd.o kinetic_CASC.o cinfo.o ${LIBS} -o ${BIN}
 
 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
 	${FC} ${FFLAGS} cinfo.f
-	${FC} ${OPT} ${object} dfa.o cinfo.o ${LIBS}  -o ${BIN}
+	${FC} ${OPT} ${object} dfa.o cinfo.o ${LIBS} -o ${BIN}
 
 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