Merge branch 'UCGM' of mmka.chem.univ.gda.pl:unres4 into UCGM

[unres4.git] / source / unres / Makefile

diff --git a/source/unres/Makefile b/source/unres/Makefile
index c1e9c7a..35dcfa0 100644 (file)
--- a/source/unres/Makefile
+++ b/source/unres/Makefile
@@ -5,7 +5,7 @@ INSTALL_DIR = /users/software/mpich2-1.4.1p1_intel
 
 FC= ${INSTALL_DIR}/bin/mpif90
 
-OPT =  -O3 -ip 
+OPT =  -O3 -ip #-CA -CB
 
 #FFLAGS = -fpp -c ${OPT}  -I$(INSTALL_DIR)/include
 #-mcmodel large -check arg_temp_created -heap-arrays  -recursive
@@ -46,9 +46,9 @@ data = names.o io_units.o calc_data.o compare_data.o control_data.o \
 
 objects = xdrf/*.o \
        prng_32.o math.o random.o geometry.o md_calc.o io_base.o energy.o check_bond.o muca_md.o\
-       control.o io_config.o MPI.o minim.o \
+       control.o io_config.o MPI.o minim.o fdisy.o fdiag.o machpd.o \
        regularize.o compare.o map.o REMD.o MCM_MD.o io.o \
-       MD.o MREMD.o CSA.o unres.o
+       MD.o MREMD.o CSA.o unres.o quindibisectok.o quindet2ok.o
 
 
 #${EXE_FILE}: ${objects}
@@ -90,15 +90,26 @@ GAB: ${data} ${objects}
        ${FC} ${OPT} ${data} ${objects} cinfo.o -o ${EXE_FILE}
 
 E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
-        -DSPLITELE -DLANG0
-#E0LL2Y: EXE_FILE = ../../bin/unres_MD-M_E0LL2Y_F90_EL_opt3.exe
-E0LL2Y: EXE_FILE = ../../bin/unres_E0LL2Y_F90_EL.exe
+        -DSPLITELE -DLANG0 -DFIVEDIAG
+#E0LL2Y: EXE_FILE = ../../bin/unres_E0LL2Y_F90_EL.exe
+E0LL2Y: EXE_FILE = ../../bin/unres_E0LL2Y_5DiaF90_EL.exe
+#E0LL2Y: EXE_FILE = ../../bin/unres_E0LL2Y_5DiaF90_ELcb.exe
+#E0LL2Y: EXE_FILE = ../../bin/unres_E0LL2Y_5DiaF90_EL.diag.exe
 E0LL2Y: ${data} ${objects}
        cc -o compinfo compinfo.c
        ./compinfo | true
        ${FC} ${FFLAGS} cinfo.f90
        ${FC} ${OPT} ${data} ${objects} cinfo.o -o ${EXE_FILE}
 
+NEWGRAD: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
+        -DSPLITELE -DLANG0 -DCARGRAD -DFIVEDIAG
+NEWGRAD: EXE_FILE = ../../bin/unres_E0LL2Y_F90_EL-NEWG.exe
+NEWGRAD: ${data} ${objects}
+       cc -o compinfo compinfo.c
+       ./compinfo | true
+       ${FC} ${FFLAGS} cinfo.f90
+       ${FC} ${OPT} ${data} ${objects} cinfo.o -o ${EXE_FILE}
+
 
 xdrf/*.o:
        cd xdrf && make
@@ -221,3 +232,18 @@ CSA.o: CSA.f90
 
 unres.o: unres.f90
        ${FC} ${FFLAGS} ${CPPFLAGS} unres.f90
+
+quindibisectok.o: quindibisectok.F90
+       ${FC} ${FFLAGS} ${CPPFLAGS} quindibisectok.F90
+
+quindet2ok.o: quindet2ok.F90
+       ${FC} ${FFLAGS} ${CPPFLAGS} quindet2ok.F90
+
+
+
+
+
+
+
+
+