readpdb-mult

[unres.git] / source / unres / src-HCD-5D / Makefile_MPICH_ifort-okeanos

diff --git a/source/unres/src-HCD-5D/Makefile_MPICH_ifort-okeanos b/source/unres/src-HCD-5D/Makefile_MPICH_ifort-okeanos
index 9826556..3fcb971 100644 (file)
--- a/source/unres/src-HCD-5D/Makefile_MPICH_ifort-okeanos
+++ b/source/unres/src-HCD-5D/Makefile_MPICH_ifort-okeanos
@@ -4,20 +4,18 @@
 
 FC = ftn
 
-#OPT =  -O3 -ip -mcmodel=medium -shared-intel -dynamic
-OPT =  -g -CA -CB -mcmodel=medium -shared-intel -dynamic
-OPT2 = -g -O0 -mcmodel=medium -shared-intel -dynamic
-#OPTE = -c  -O3 -ipo  -mcmodel=medium -shared-intel -dynamic
-OPTE = ${OPT} -c
-
-FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
-#FFLAGS1 = -c  -g -CA -CB -I$(INSTALL_DIR)/include 
-#FFLAGS = ${FFLAGS1}
-FFLAGS1 = ${FFLAGS}
-FFLAGS2 = -c ${OPT2} -I$(INSTALL_DIR)/include  
-FFLAGSE = ${OPTE} -I$(INSTALL_DIR)/include
-#FFLAGSE = ${FFLAGS}
-
+OPT  = -O3 -ip -mcmodel=medium -shared-intel -dynamic
+OPTE = -c  -O3 -ipo  -mcmodel=medium -shared-intel -dynamic
+OPT2 = -O2 -ip -mcmodel=medium -shared-intel -dynamic
+OPT0 = -g -O0 -mcmodel=medium -shared-intel -dynamic
+OPT1 = -g -CA -CB -mcmodel=medium -shared-intel -dynamic
+#OPT = -g -CA -CB -mcmodel=medium -shared-intel -dynamic
+
+FFLAGS  = -c ${OPT}
+FFLAGSE = -c ${OPTE}
+FFLAGS2 = -c ${OPT2}
+FFLAGS1 = -c ${OPT1}
+FFLAGS0 = -c ${OPT0}
 
 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
 #/opt/cray/mpt/7.3.2/gni/mpich-intel/15.0/lib/libmpich.a
@@ -40,7 +38,7 @@ object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.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.o \
        energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.o \
-        cored.o rmdd.o geomout.o readpdb.o int_from_cart.o regularize.o \
+        cored.o rmdd.o geomout.o readpdb-mult.o int_from_cart.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 \
@@ -94,6 +92,24 @@ E0LL2Y_DFA: ${object} dfa.o xdrf/libxdrf.a
        ${FC} ${FFLAGS} cinfo.f
        ${FC} ${OPT} ${object} dfa.o cinfo.o ${LIBS}  -o ${BIN}
 
+E0LL2Y5D: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
+       -DSPLITELE -DLANG0 -DFIVEDIAG
+E0LL2Y5D: BIN = ~/bin/unres_ifort_MPICH-okeanos_E0LL2Y-HCD5.exe
+E0LL2Y5D: ${object} xdrf/libxdrf.a
+       gcc -o compinfo compinfo.c
+       ./compinfo | true
+       ${FC} ${FFLAGS} cinfo.f
+       ${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}
+
+E0LL2Y5D_DFA: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
+       -DSPLITELE -DLANG0 -DFIVEDIAG -DDFA
+E0LL2Y5D_DFA: BIN = ~/bin/unres_ifort_MPICH-okeanos_E0LL2Y-HCD5-DFA.exe
+E0LL2Y5D_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}
+
 NEWCORR: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
        -DSPLITELE -DLANG0 -DNEWCORR -DCORRCD #-DFOURBODY #-DMYGAUSS #-DTIMING
 NEWCORR: BIN = ~/bin/unres_ifort_MPICH-okeanos_SC-HCD.exe
@@ -144,7 +160,7 @@ chainbuild.o: chainbuild.F
        ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
 
 djacob.o: djacob.f
-       ${FC} ${FFLAGS2} djacob.f
+       ${FC} ${FFLAGS0} djacob.f
 
 matmult.o: matmult.f
        ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
@@ -159,10 +175,10 @@ cartder.o : cartder.F
        ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
 
 readpdb.o : readpdb.F
-       ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
+       ${FC} ${FFLAGS0} ${CPPFLAGS} readpdb.F
 
-readpdb.o : readpdb.F
-       ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb-mult.F
+readpdb-mult.o : readpdb-mult.F
+       ${FC} ${FFLAGS0} ${CPPFLAGS} readpdb-mult.F
 
 sumsld.o : sumsld.f
        ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
@@ -195,10 +211,13 @@ add.o : add.f
        ${FC} ${FFLAGS1} add.f
 
 eigen.o : eigen.f
-       ${FC} ${FFLAGS2} eigen.f
+       ${FC} ${FFLAGS0} eigen.f
 
 dfa.o: dfa.F
-       ${FC} ${FFLAGS2} dfa.F
+       ${FC} ${CPPFLAGS} ${FFLAGS} dfa.F
+
+rmscalc.o: rmscalc.F
+       ${FC} ${FFLAGS2} ${CPPFLAGS} rmscalc.F
 
 proc_proc.o: proc_proc.c
        ${CC} ${CFLAGS} proc_proc.c