correction of correlation potentials

[unres.git] / source / unres / src_MD-M / Makefile

diff --git a/source/unres/src_MD-M/Makefile b/source/unres/src_MD-M/Makefile
index 0297edd..ef18714 100644 (file)
--- a/source/unres/src_MD-M/Makefile
+++ b/source/unres/src_MD-M/Makefile
@@ -1,7 +1,9 @@
 CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI \
            -DPGI -DSPLITELE -DISNAN -DAMD64 \
            -DPROCOR -DLANG0 \
-       -DCRYST_BOND -DCRYST_THETA -DCRYST_SC 
+           -DSCCORPDB  
+#          -DCRYST_BOND -DCRYST_THETA -DCRYST_SC 
+#      -DSCCORPDB 
 ## -DPROCOR
 ## -DMOMENT
 #-DCO_BIAS
@@ -14,8 +16,9 @@ INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
 #FC= /usr/local/opt/intel/compiler60/ia32/bin/ifc
 FC= ifort
 
-OPT =  -O3 -ip -w
-
+#OPT =  -O3 -ip -w
+OPT = -g -CB
+#OPT = -g
 CFLAGS = -DSGI -c
 
 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
@@ -23,10 +26,10 @@ FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)/include
 FFLAGS2 = -c -w -O0 -I$(INSTALL_DIR)/include
 FFLAGSE = -c -w -O3 -ipo -ipo_obj  -opt_report -I$(INSTALL_DIR)/include
 
-BIN = ../../../bin/unres/MD/unres_Tc_procor_oldparm_em64-D-symetr.exe
-#LIBS = -L$(INSTALL_DIR)/lib_pgi -lmpich ../../lib/xdrf/libxdrf.a
+BIN = ../../../bin/unres/MD-M/unres_Tc_procor_newparm_em64-D-symetr.exe
+#LIBS = -L$(INSTALL_DIR)/lib_pgi -lmpich xdrf/libxdrf.a
 #LIBS = -L$(INSTALL_DIR)/lib_ifort -lmpich xdrf/libxdrf.a
-LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -g -d2 -CA -CB
+LIBS = -L$(INSTALL_DIR)/lib -lmpich ../../lib/xdrf_em64/libxdrf.a -g -d2 -CA -CB
 
 ARCH = LINUX
 PP = /lib/cpp -P
@@ -54,7 +57,7 @@ object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
         intcartderiv.o lagrangian_lesyng.o\
        stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
         surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
-       q_measure.o gnmr1.o ssMD.o
+       q_measure.o gnmr1.o
 
 unres: ${object} proc_proc.o
        cc -o compinfo compinfo.c