X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA_DiL%2FMakefile_MPICH_bluegene;fp=source%2Funres%2Fsrc_CSA_DiL%2FMakefile_MPICH_bluegene;h=0000000000000000000000000000000000000000;hp=15750968aea3202c934c51546030b46fd17f3cb5;hb=de4bc5453ea46e111d936cb85e1758ed21c08fcd;hpb=b75425747e3e2b448ca5e0ef8367712e1f339124

diff --git a/source/unres/src_CSA_DiL/Makefile_MPICH_bluegene b/source/unres/src_CSA_DiL/Makefile_MPICH_bluegene
deleted file mode 100644
index 1575096..0000000
--- a/source/unres/src_CSA_DiL/Makefile_MPICH_bluegene
+++ /dev/null
@@ -1,142 +0,0 @@
-#################################################################################
-FC = mpixlf77
-OPT =  -O4 -qarch=qp -qtune=qp -qnocr
-#OPT =  -O3 -qarch=qp -qtune=qp -qdebug=function_trace
-#OPT =  -O -qarch=qp -qtune=qp
-#OPT = -O0 -C -g -qarch=qp -qtune=qp #-qdebug=function_trace
-#-Minline=name:scalar2,scalar,transpose2,matvec2,prodmat3 \
-#-Mprefetch=distance:8,nta
-
-#OPT1 = -O -g -qarch=qp -qtune=qp
-#OPT1 = -O -g -qarch=qp -qtune=qp -qdebug=function_trace
-OPT1 = ${OPT}
-#OPT2 = -O2 -qarch=qp -qtune=qp
-#OPT2 = -O2 -qarch=qp -qtune=qp -qdebug=function_trace
-OPT2 = ${OPT}
-#OPTE = -O4 -qarch=qp -qtune=qp
-#OPTE = -O4 -qarch=qp -qtune=qp
-OPTE=${OPT}
-
-CFLAGS = -c
-FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
-FFLAGS1 = -c ${OPT1} -I$(INSTALL_DIR)/include
-FFLAGS2 = -c ${OPT2} -I$(INSTALL_DIR)/include
-FFLAGSE = -c ${OPTE} -I$(INSTALL_DIR)/include
-
-LIBS = xdrf/libxdrf.a
-
-ARCH = LINUX
-PP = /lib/cpp -P
-
-all: no_option
-	@echo "Specify force field: GAB, E0LL2Y, 4P or CASP3"
-
-.SUFFIXES: .F
-.F.o:
-	${FC} ${FFLAGS} ${CPPFLAGS} $*.F
-
-
-object = unres_csa.o arcos.o cartprint.o chainbuild.o initialize_p.o \
-        matmult.o readrtns_csa.o parmread.o \
-        pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
-        cartder.o checkder_p.o econstr_local.o energy_p_new_barrier.o \
-	gradient_p.o minimize_p.o sumsld.o \
-        cored.o rmdd.o geomout_min.o readpdb.o \
-        intcartderiv.o \
-        MP.o printmat.o convert.o int_to_cart.o \
-	dfa.o \
-        together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \
-        indexx.o prng_32.o contact.o gen_rand_conf.o \
-        sc_move.o test.o local_move.o rmsd.o fitsq.o elecont.o djacob.o \
-        distfit.o banach.o TMscore_subroutine.o minim_mult.o refsys.o
-
-no_option:
-
-GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
-	-DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
-GAB: BIN = ../../../bin/unres/CSA/unres_csa-DL_xlf77_MPICH_GAB.exe
-LIBS =  -lpthread -L$(INSTALL_DIR)/lib -lmpich
-GAB: ${object}
-	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/CSA/unres_csa-DL_xlf77_MPICH_E0LL2Y.exe
-E0LL2Y: ${object} 
-	cc -o compinfo compinfo.c
-	./compinfo | true
-	${FC} ${FFLAGS} cinfo.f
-	${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}
-
-4P: CPPFLAGS = -DLINUX -DPGI -DISNAN -DMP -DMPI -DUNRES \
-           -DSPLITELE -DAMD64 -DLANG0 \
-           -DCRYST_BOND -DCRYST_THETA -DCRYST_SC 
-4P: BIN = ../../../bin/unres/CSA/unres_csa-DL_xlf77_MPICH_4P.exe
-4P: ${object} 
-	cc -o compinfo compinfo.c
-	./compinfo | true
-	${FC} ${FFLAGS} cinfo.f
-	${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}
-
-clean:
-	/bin/rm -f *.o && /bin/rm -f compinfo 
-
-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