restraints from contact prediction for CSA version

[unres.git] / source / unres / src_CSA / Makefile_MPICH_ifort

diff --git a/source/unres/src_CSA/Makefile_MPICH_ifort b/source/unres/src_CSA/Makefile_MPICH_ifort
index 1720452..dfa0875 100644 (file)
--- a/source/unres/src_CSA/Makefile_MPICH_ifort
+++ b/source/unres/src_CSA/Makefile_MPICH_ifort
@@ -1,6 +1,6 @@
 ###################################################################
-INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
-
+#INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
+INSTALL_DIR = /users/software/mpich2-1.4.1p1_intel
 
 FC= ifort
 
@@ -11,8 +11,8 @@ FFLAGS1 = -c  -g -CA -CB -I$(INSTALL_DIR)/include
 FFLAGS2 = -c  -g -O0 -I$(INSTALL_DIR)/include  
 FFLAGSE = -c  -O3 -ipo  -opt_report -I$(INSTALL_DIR)/include
 
-
-LIBS = -L$(INSTALL_DIR)/lib -lmpich 
+# -lmpl only necessary for mpich2-1.4.1p1_intel
+LIBS = -L$(INSTALL_DIR)/lib -lmpich -lmpl
 
 ARCH = LINUX
 PP = /lib/cpp -P
@@ -38,14 +38,13 @@ object = unres_csa.o arcos.o cartprint.o chainbuild.o initialize_p.o \
         together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \
         indexx.o prng_32.o contact.o gen_rand_conf.o \
         sc_move.o test.o local_move.o rmsd.o fitsq.o elecont.o djacob.o \
-        distfit.o banach.o TMscore_subroutine.o minim_mult.o refsys.o
+        distfit.o banach.o TMscore_subroutine.o minim_mult.o refsys.o gnmr1.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/CSA/unres_csa_ifort_MPICH_GAB.exe
-LIBS =  -lpthread -L$(INSTALL_DIR)/lib -lmpich
 GAB: ${object}
        cc -o compinfo compinfo.c
        ./compinfo | true