X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FMakefile_bigben-tau;fp=source%2Funres%2Fsrc_MD%2FMakefile_bigben-tau;h=0000000000000000000000000000000000000000;hp=ee02905605b193736302325929602b9f06a3304e;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30

diff --git a/source/unres/src_MD/Makefile_bigben-tau b/source/unres/src_MD/Makefile_bigben-tau
deleted file mode 100644
index ee02905..0000000
--- a/source/unres/src_MD/Makefile_bigben-tau
+++ /dev/null
@@ -1,137 +0,0 @@
-#
-#FC= ftn
-TAU_MAKEFILE=/usr/local/packages/TAU-2.17/tau-2.17/xt3/lib/Makefile.tau-mpi-pdt-pgi
-FC=tau_f90.sh
-OPT =  -fast  \
--Minline=name:scalar2,scalar,transpose2,matvec2,prodmat3 \
--Mprefetch=distance:8,nta
-
-#OPT = -C -g
-#OPT1 = -g -fast
-OPT1 = -fast
-OPT2 = -fast
-OPT2 = ${OPT}
-OPTE = ${OPT}
-
-FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
-FFLAGS1 = -c ${OPT1} -I$(INSTALL_DIR)/include
-FFLAGS2 = -c ${OPT2} -I$(INSTALL_DIR)/include
-FFLAGSE = ${FFLAGS} 
-
-CFLAGS = -DSGI -c
-
-BIN = ../bin/unres_MD_Tc_procor-newmat-noparint-barrier-tau.exe
-LIBS = xdrf/libxdrf.a
-
-CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI -DPGI \
-	-DSPLITELE -DPROCOR -DAMD64 -DLANG0 -DPARVEC
-
-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.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} proc_proc.o
-	cc -o compinfo compinfo.c 
-	./compinfo | true
-	${FC} ${FFLAGS} cinfo.f
-	${FC} ${OPT} ${object} proc_proc.o cinfo.o ${LIBS}  -o ${BIN}
-
-
-clean:
-	/bin/rm *.o *.pp.[fF] *.pp.inst.[fF]
-
-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
-
-energy_p_new-sep.o : energy_p_new-sep.F
-	${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new-sep.F
-
-lagrangian_lesyng.o : lagrangian_lesyng.F
-	${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
-
-blas.o : blas.f
-	${FC} ${FFLAGS1} blas.f
-
-add.o : add.f
-	${FC} ${FFLAGS1} add.f
-
-eigen.o : eigen.f
-	${FC} ${FFLAGS1} eigen.f
-
-proc_proc.o: proc_proc.c
-	${CC} ${CFLAGS} proc_proc.c