X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-NEWSC%2FMakefile_galera;fp=source%2Funres%2Fsrc_MD-NEWSC%2FMakefile_galera;h=899ec63b50e84e02a4565dbd76998e524060e1a4;hb=d101c97dea752458d76055fdbae49c26fff03c1f;hp=0000000000000000000000000000000000000000;hpb=325eda160c9ad2982501e091ca40606a29043712;p=unres.git

diff --git a/source/unres/src_MD-NEWSC/Makefile_galera b/source/unres/src_MD-NEWSC/Makefile_galera
new file mode 100644
index 0000000..899ec63
--- /dev/null
+++ b/source/unres/src_MD-NEWSC/Makefile_galera
@@ -0,0 +1,147 @@
+CPPFLAGS = -DPROCOR -DLINUX -DUNRES -DMP -DMPI -DPGI -DISNAN \
+           -DSPLITELE -DAMD64 -DLANG0 
+#           -DCRYST_BOND -DCRYST_THETA -DCRYST_SC 
+#-DCRYST_TOR
+# -DPROCOR
+#           -DTSCSC
+#-DTIMING \
+# -DCRYST_BOND -DCRYST_THETA -DCRYST_SC 
+# -DMOMENT
+#-DPARVEC 
+#-DPARINT -DPARINTDER  
+
+#INSTALL_DIR = /users/local/mpi64/mpich-1.2.7p1/
+#INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
+#INSTALL_DIR = /users/software/mpich2.x86_64/
+#INSTALL_DIR = /opt/mpi/mvapich2
+INSTALL_DIR = /opt/mpi/mvapich
+
+FC= ifort
+FCL= ${INSTALL_DIR}/bin/mpif77
+
+OPT =  -O3 -ip -w -xHost
+
+FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
+FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)/include 
+FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include  
+FFLAGSE = -c -w -xHost -O3 -ipo -ipo_obj -no-prec-div -opt_report -I$(INSTALL_DIR)/include
+
+
+BIN = ../bin/unres_Tc_procor_new_em64_hremd_mpich1.exe
+LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf_em64/libxdrf.a -lpthread 
+
+ARCH = LINUX
+PP = /lib/cpp -P
+
+
+all: unres
+
+.SUFFIXES: .F
+.F.o:
+	${FC} ${FFLAGS} ${CPPFLAGS} $*.F
+
+
+object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
+        matmult.o readrtns_CSA.o parmread.o gen_rand_conf.o printmat.o map.o \
+        pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
+        cartder.o checkder_p.o econstr_local.o energy_p_new_barrier.o \
+	energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.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 \
+        together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \
+        indexx.o MP.o compare_s1.o prng_32.o \
+        test.o banach.o distfit.o rmsd.o elecont.o dihed_cons.o \
+        sc_move.o local_move.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
+
+unres: ${object} 
+	cc -o compinfo compinfo.c
+	./compinfo | true
+	${FC} ${FFLAGS} cinfo.f
+	${FCL} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}
+
+
+clean:
+	/bin/rm *.o *.il
+
+newconf.o: newconf.f
+	${FC} ${FFLAGS} ${CPPFLAGS} newconf.f
+
+bank.o: bank.F
+	${FC} ${FFLAGS} ${CPPFLAGS} bank.F
+
+diff12.o: diff12.f
+	${FC} ${FFLAGS} ${CPPFLAGS} diff12.f
+
+csa.o: csa.f
+	${FC} ${FFLAGS} ${CPPFLAGS} csa.f
+
+shift.o: shift.F
+	${FC} ${FFLAGS} ${CPPFLAGS} shift.F
+
+ran.o: ran.f
+	${FC} ${FFLAGS} ${CPPFLAGS} ran.f
+
+together.o: together.F
+	${FC} ${FFLAGS} ${CPPFLAGS} together.F
+
+test.o: test.F
+	${FC} ${FFLAGS} ${CPPFLAGS} test.F
+
+chainbuild.o: chainbuild.F
+	${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
+
+matmult.o: matmult.f
+	${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
+
+parmread.o : parmread.F
+	${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
+
+intcor.o : intcor.f
+	${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
+
+cartder.o : cartder.F
+	${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
+
+readpdb.o : readpdb.F
+	${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
+
+sumsld.o : sumsld.f
+	${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
+        
+cored.o : cored.f
+	${FC} ${FFLAGS1} ${CPPFLAGS} cored.f
+ 
+rmdd.o : rmdd.f
+	${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f
+
+energy_p_new_barrier.o : energy_p_new_barrier.F
+	${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new_barrier.F
+
+gradient_p.o : gradient_p.F
+	${FC} ${FFLAGSE} ${CPPFLAGS} gradient_p.F
+
+energy_p_new-sep_barrier.o : energy_p_new-sep_barrier.F
+	${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new-sep_barrier.F
+
+lagrangian_lesyng.o : lagrangian_lesyng.F
+	${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
+
+MD_A-MTS.o : MD_A-MTS.F
+	${FC} ${FFLAGSE} ${CPPFLAGS} MD_A-MTS.F
+
+blas.o : blas.f
+	${FC} ${FFLAGS1} blas.f
+
+add.o : add.f
+	${FC} ${FFLAGS1} add.f
+
+eigen.o : eigen.f
+	${FC} ${FFLAGS2} eigen.f
+
+proc_proc.o: proc_proc.c
+	${CC} ${CFLAGS} proc_proc.c