X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FMakefile;h=ef18714d6b758791bf15eecc471d9c8b274413f1;hb=dea2e7e9c8a159fba253863186d91d90930f17c6;hp=0297edd06a195cfecaf8ab0b3d90fb0eb3214973;hpb=c6335222f02abf32e0cc697ec8a4666c754655b9;p=unres.git

diff --git a/source/unres/src_MD-M/Makefile b/source/unres/src_MD-M/Makefile
index 0297edd..ef18714 100644
--- 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