Merge branch 'devel' into AFM

[unres.git] / source / unres / src_MD-M-newcorr / Makefile_lnx_pgf90

diff --git a/source/unres/src_MD-M-newcorr/Makefile_lnx_pgf90 b/source/unres/src_MD-M-newcorr/Makefile_lnx_pgf90
new file mode 100644 (file)
index 0000000..844c8c6
--- /dev/null
+++ b/source/unres/src_MD-M-newcorr/Makefile_lnx_pgf90
@@ -0,0 +1,120 @@
+FC= mpif90
+OPT =  -fast -pc 64 -tp p6  \
+-Minline=name:scalar2,scalar,transpose2,matvec2,prodmat3
+#OPT =  -C -g -fast -pc 64 -tp p6
+
+OPT1 = -C -g -fast -pc 64 -tp p6
+#OPT = -C -g
+
+# -Mvect <---slows down
+#        -Minline=name:matmat2 <---false convergence
+
+CFLAGS = -DSGI
+FFLAGS = -c ${OPT}
+FFLAGS1 = -c ${OPT1}
+
+BIN = /users/adam/MEY_MD/bin/unres_MD_Tc-fine-newmat.exe
+LIBS = -Lxdrf -lxdrf
+CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI -DPGI \
+          -DSPLITELE -DPROCOR -DAMD64 -DLANG0 -DPARVEC #-DPARINT -DPARINTDER
+#-DMOMENT
+#-DCO_BIAS
+#-DCRYST_TOR
+#-DDEBUG
+
+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 \
+       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}
+       cc -o compinfo compinfo.c
+       ./compinfo
+       ${FC} ${FFLAGS} cinfo.f
+       ${FC}  ${OPT} ${object} proc_proc.o cinfo.o ${LIBS} -Wl,-Bstatic -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} ${FFLAGS1} ${CPPFLAGS} csa.f
+
+shift.o: shift.F
+       ${FC} ${FFLAGS1} ${CPPFLAGS} shift.F
+
+ran.o: ran.f
+       ${FC} ${FFLAGS1} ${CPPFLAGS} ran.f
+
+together.o: together.F
+       ${FC} ${FFLAGS} ${CPPFLAGS} together.F
+
+fitsq.o: fitsq.f
+       ${FC} ${FFLAGS1} ${CPPFLAGS} fitsq.f
+
+rmsd.o: rmsd.F
+       ${FC} ${FFLAGS1} ${CPPFLAGS} rmsd.F
+
+contact.o: contact.f
+       ${FC} ${FFLAGS1} ${CPPFLAGS} contact.f
+
+minim_jlee.o:  minim_jlee.F
+       ${FC} ${FFLAGS1} ${CPPFLAGS}  minim_jlee.F
+
+minimize_p.o:  minimize_p.F
+       ${FC} ${FFLAGS1} ${CPPFLAGS}  minimize_p.F
+
+gen_rand_conf.o:  gen_rand_conf.F
+       ${FC} ${FFLAGS} ${CPPFLAGS}  gen_rand_conf.F
+
+
+test.o: test.F
+       ${FC} ${FFLAGS1} ${CPPFLAGS} test.F
+
+elecont.o: elecont.f
+       ${FC} ${FFLAGS} ${CPPFLAGS} elecont.f
+
+eigen.o : eigen.f
+       ${FC} ${FFLAGS} ${CPPFLAGS} eigen.f
+
+blas.o : blas.f
+       ${FC} ${FFLAGS} ${CPPFLAGS} blas.f
+
+add.o : add.f
+       ${FC} ${FFLAGS} ${CPPFLAGS} add.f
+
+proc_proc.o: proc_proc.c
+       ${CC} ${CFLAGS} proc_proc.c
+
+compinfo: compinfo.c 
+       ${CC} ${CFLAGS} compinfo.c