X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FMakefile-biosim;fp=source%2Funres%2Fsrc_MD-M%2FMakefile-biosim;h=0000000000000000000000000000000000000000;hp=e8de82a40b19d03b271b966399982703ba0bf5fe;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30

diff --git a/source/unres/src_MD-M/Makefile-biosim b/source/unres/src_MD-M/Makefile-biosim
deleted file mode 100644
index e8de82a..0000000
--- a/source/unres/src_MD-M/Makefile-biosim
+++ /dev/null
@@ -1,127 +0,0 @@
-#CPPFLAGS =  -WF,-DOLD_GINV \
-            -WF,-DUNRES -WF,-DMP -WF,-DMPI \
-            -WF,-DSPLITELE -WF,-DISNAN \
-            -WF,-DAIX -WF,-DLANG0 -WF,-DPROCOR
-#
-INSTALL_DIR = /opt/mpich-pgi
-CC = cc
-FC=mpif90
-PGI=/opt/pgi
-#OPT =  -fast -pc 64 -tp p6  \
-#-Minline=name:scalar2,scalar,transpose2,matvec2,prodmat3
-OPT =  -fast 
-
-OPT1 = -fast
-#OPT = -C -g
-#OPT1 = -C -g
-
-# -Mvect <---slows down
-#        -Minline=name:matmat2 <---false convergence
-
-FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
-FFLAGS1 = -c ${OPT1} -I$(INSTALL_DIR)/include
-FFLAGSE = ${FFLAGS}
-FFLAGS2 = ${FFLAGS}
-
-BIN = /home/aliwo/UNRES/MD/bin/unres_MD_Tc-new-fg.exe
-LIBS = ../src_Tc_cache/xdrf_new/libxdrf.a
-#LIBS=-lmpichfsup
-CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI -DPGI -DSPLITELE -DPROCOR -DOLD_GINV -DLANG0
-CFLAGS = -DLINUX -DPGI -c
-
-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.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.o moments.o int_to_cart.o \
-        surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split.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
-
-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
-
-proc_proc.o: proc_proc.c
-	${CC} ${CFLAGS} proc_proc.c