X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FMakefile_jubl-debug;fp=source%2Funres%2Fsrc_MD-M%2FMakefile_jubl-debug;h=0000000000000000000000000000000000000000;hp=d2d6c47f132a38d6acebe581fa5fe70c9f3bd934;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30

diff --git a/source/unres/src_MD-M/Makefile_jubl-debug b/source/unres/src_MD-M/Makefile_jubl-debug
deleted file mode 100644
index d2d6c47..0000000
--- a/source/unres/src_MD-M/Makefile_jubl-debug
+++ /dev/null
@@ -1,141 +0,0 @@
-CPPFLAGS =  -WF,-DOLD_GINV \
-            -WF,-DUNRES -WF,-DMP -WF,-DMPI \
-            -WF,-DSPLITELE -WF,-DISNAN \
-            -WF,-DAIX -WF,-DLANG0 -WF,-DPROCOR
-#-WF,-DNOXDR
-#-WF,-DPROCOR
-## -DMOMENT
-#-DCO_BIAS
-#-DCRYST_TOR
-#-DDEBUG
-
-BGLSYS = /bgl/BlueLight/ppcfloor/bglsys
-
-CC = /usr/bin/blrts_xlc
-CPPC = /usr/bin/blrts_xlc
-FC = /usr/bin/blrts_xlf90 
-#-pg -g
-
-# try -qarch=440 first, then use -qarch=440d for 2nd FPU later on
-#  (SIMDization requires at least -O3)
-# use -qlist -qsource with 440d and look for Parallel ASM instructions.
-#
-OPT= -I$(BGLSYS)/include -L$(BGLSYS)/lib -qarch=440d -qtune=440 -qfixed -w -qnosave
-CFLAGS= -O3 -I$(BGLSYS)/include -L$(BGLSYS)/lib -qarch=440d -qtune=440
-FFLAGS= -c -O3 ${OPT}
-FFLAGS= -c -C -g ${OPT}
-#
-LIBS_MPI = -lmpich.rts -lmsglayer.rts -lrts.rts -ldevices.rts
-LIBSF_MPI = -lmpich.rts -lfmpich.rts -lmsglayer.rts -lrts.rts -ldevices.rts
-
-FFLAGS1 = -c ${OPT} -O2
-FFLAGS2 = -c ${OPT} -O
-FFLAGSE = -c ${OPT} -O4 
-
-
-BIN = ${HOME}/UNRES/bin/unres_Tc_procor_150aa_newparm.rts
-LIBS = ${LIBSF_MPI} xdrf/libxdrf.a 
-#LIBS = ${LIBSF_MPI}
-
-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.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
-	${FC} ${OPT} ${objectCSA} cinfo.o ${LIBS}  -o ${BIN}
-
-
-clean:
-	/bin/rm *.o
-
-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.o : energy_p_new.F
-	${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new.F
-
-lagrangian_lesyng.o : lagrangian_lesyng.F
-	${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
-
-eigen.o : eigen.f
-	${FC} ${FFLAGS2} ${CPPFLAGS} eigen.f
-
-blas.o : blas.f
-	${FC} ${FFLAGS2} ${CPPFLAGS} blas.f
-
-add.o : add.f
-	${FC} ${FFLAGS2} ${CPPFLAGS} add.f