X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FMakefile_MPICH_ifort;h=966466d45ac0f17eec86f1302a318b4f564cb54d;hb=c45f3ac598572d95b62213f9ed78f4990a8f7735;hp=ebdb428c8cfbf5d87f130240d2dee9f52a635f1e;hpb=c3d632cf84fd647434c093cb3fd69ea605293f75;p=unres.git

diff --git a/source/unres/src_MD/Makefile_MPICH_ifort b/source/unres/src_MD/Makefile_MPICH_ifort
index ebdb428..966466d 100644
--- a/source/unres/src_MD/Makefile_MPICH_ifort
+++ b/source/unres/src_MD/Makefile_MPICH_ifort
@@ -10,8 +10,8 @@ FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
 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
-# FFLAGS = ${FFLAGS1}
-# FFLAGSE = ${FFLAGS1}
+FFLAGS = ${FFLAGS1}
+FFLAGSE = ${FFLAGS1}
 
 
 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
@@ -21,7 +21,7 @@ PP = /lib/cpp -P
 
 
 all: no_option
-	@echo "give optin GAB or E0LL2Y"
+	@echo "Specify force field: GAB, 4P or E0LL2Y"
 
 .SUFFIXES: .F
 .F.o:
@@ -36,7 +36,7 @@ object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
         cored.o rmdd.o geomout.o readpdb.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 djacob.o \
         eigen.o blas.o add.o entmcm.o minim_mcmf.o \
-        MP.o compare_s1.o prng.o \
+        MP.o compare_s1.o prng_32.o \
         banach.o rmsd.o elecont.o dihed_cons.o \
         sc_move.o local_move.o \
         intcartderiv.o lagrangian_lesyng.o\
@@ -46,7 +46,7 @@ object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
 
 no_option:
 
-GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
+GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
 	-DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
 GAB: BIN = ../../../bin/unres/MD/unres_ifort_MPICH_GAB.exe
 GAB: ${object} xdrf/libxdrf.a
@@ -55,7 +55,16 @@ GAB: ${object} xdrf/libxdrf.a
 	${FC} ${FFLAGS} cinfo.f
 	${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}
 
-E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
+4P: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
+	-DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
+4P: BIN = ../../../bin/unres/MD/unres_ifort_MPICH_4P.exe
+4P: ${object} xdrf/libxdrf.a
+	cc -o compinfo compinfo.c
+	./compinfo | true
+	${FC} ${FFLAGS} cinfo.f
+	${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}
+
+E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
 	-DSPLITELE -DLANG0
 E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
 E0LL2Y: ${object} xdrf/libxdrf.a