From: Adam Liwo Date: Mon, 2 Apr 2012 12:29:33 +0000 (-0400) Subject: Makefiles for specific compilers and force fields created X-Git-Tag: v.3.1~3 X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=404253c1039bb7becee3ca8c6be40c913b28d14c Makefiles for specific compilers and force fields created --- diff --git a/bin/unres/CSA/unres.csh b/bin/unres/CSA/unres.csh index 19ff012..97be00e 100755 --- a/bin/unres/CSA/unres.csh +++ b/bin/unres/CSA/unres.csh @@ -5,7 +5,7 @@ setenv POT GB setenv PREFIX R0001_csa setenv OUT1FILE NO #----------------------------------------------------------------------------- -setenv UNRES_BIN /net/czarek/UNRES/bin/unres_Tc_procor_050711_dfa_csa_4P_800.exe +setenv UNRES_BIN unres_ifort_csa_mpich-1.2.7p1.exe #----------------------------------------------------------------------------- setenv DD /net/czarek/UNRES/PARAM setenv BONDPAR $DD/bond.parm diff --git a/bin/unres/MD/unres_MD_Tc-pgf90-single.exe b/bin/unres/MD/unres_MD_Tc-pgf90-single.exe deleted file mode 100755 index 6d3bcf4..0000000 Binary files a/bin/unres/MD/unres_MD_Tc-pgf90-single.exe and /dev/null differ diff --git a/bin/unres/MD/unres_MD_Tc-pgf90.exe b/bin/unres/MD/unres_MD_Tc-pgf90.exe deleted file mode 100755 index 40a3694..0000000 Binary files a/bin/unres/MD/unres_MD_Tc-pgf90.exe and /dev/null differ diff --git a/bin/unres/MD/unres_Tc_procor_new_em64_nh_hremd_92110.exe b/bin/unres/MD/unres_Tc_procor_new_em64_nh_hremd_92110.exe deleted file mode 100755 index 888de0b..0000000 Binary files a/bin/unres/MD/unres_Tc_procor_new_em64_nh_hremd_92110.exe and /dev/null differ diff --git a/bin/unres/MD/unres_Tc_procor_old_em64_nh_hremd_92110.exe b/bin/unres/MD/unres_Tc_procor_old_em64_nh_hremd_92110.exe deleted file mode 100755 index f37ceb8..0000000 Binary files a/bin/unres/MD/unres_Tc_procor_old_em64_nh_hremd_92110.exe and /dev/null differ diff --git a/bin/unres/MD/unres_gfortran_single.exe b/bin/unres/MD/unres_gfortran_single.exe deleted file mode 100755 index ba887d4..0000000 Binary files a/bin/unres/MD/unres_gfortran_single.exe and /dev/null differ diff --git a/bin/unres/MD/unres_ifort_mpich-1.2.7p1.exe b/bin/unres/MD/unres_ifort_mpich-1.2.7p1.exe deleted file mode 100755 index 68ceaa9..0000000 Binary files a/bin/unres/MD/unres_ifort_mpich-1.2.7p1.exe and /dev/null differ diff --git a/source/unres/src_MD/Makefile b/source/unres/src_MD/Makefile index ecdabf1..8453cdd 120000 --- a/source/unres/src_MD/Makefile +++ b/source/unres/src_MD/Makefile @@ -1 +1 @@ -Makefile_single_gfortran-oldparm \ No newline at end of file +Makefile_MPICH_ifort \ No newline at end of file diff --git a/source/unres/src_MD/Makefile_ifort b/source/unres/src_MD/Makefile_ifort deleted file mode 100644 index 1642593..0000000 --- a/source/unres/src_MD/Makefile_ifort +++ /dev/null @@ -1,128 +0,0 @@ -CPPFLAGS = -DPROCOR -DLINUX -DUNRES -DMP -DMPI -DPGI -DISNAN \ - -DSPLITELE -DAMD64 -DLANG0 -# -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -#-DCRYST_TOR -# -DPROCOR -# -DTSCSC -#-DTIMING \ -# -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -# -DMOMENT -#-DPARVEC -#-DPARINT -DPARINTDER - -INSTALL_DIR = /users/local/mpi64/mpich-1.2.7p1/ -#INSTALL_DIR = /users/local/mpich2-1.3.1/ -#INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh -#INSTALL_DIR = /users/software/mpich2.x86_64/ - - -FC= ifort - -OPT = -O3 -ip -w - -FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include -FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)/include -FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include -FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report -I$(INSTALL_DIR)/include - - -BIN = ../../../bin/unres/MD/unres_ifort_mpich-1.2.7p1.exe -#LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf_em64/libxdrf.a -lmpl -LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a - -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.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 \ - MP.o compare_s1.o prng_32.o \ - banach.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 test.o - -unres: ${object} xdrf/libxdrf.a - cc -o compinfo compinfo.c - ./compinfo | true - ${FC} ${FFLAGS} cinfo.f - ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN} - -xdrf/libxdrf.a: - cd xdrf && make - - -clean: - /bin/rm *.o *.il - -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 diff --git a/source/unres/src_MD/Makefile_single_g77 b/source/unres/src_MD/Makefile_single_g77 deleted file mode 100644 index a490b86..0000000 --- a/source/unres/src_MD/Makefile_single_g77 +++ /dev/null @@ -1,100 +0,0 @@ -FC= f77 -OPT = -O6 - -OPT1 = -fbounds-check -g -O - -# -Mvect <---slows down -# -Minline=name:matmat2 <---false convergence - -FFLAGS = -c ${OPT} -I. -FFLAGS1 = -c ${OPT1} -I. - -BIN = ../bin/unres_Tc_procor_new_g77_nh_hremd_single_92110.exe -LIBS = -L../xdrf -lxdrf -CPPFLAGS = -DLINUX -DUNRES -DG77 -DSPLITELE -DPROCOR -#-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_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_32.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} ${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} ${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 - diff --git a/source/unres/src_MD/Makefile_single_gfortran b/source/unres/src_MD/Makefile_single_gfortran index 5a8871c..8e393f8 100644 --- a/source/unres/src_MD/Makefile_single_gfortran +++ b/source/unres/src_MD/Makefile_single_gfortran @@ -1,24 +1,21 @@ FC= gfortran +FFLAGS = -c ${OPT} -I. +FFLAGS1 = -c ${OPT1} -I. CC = cc CFLAGS = -DLINUX -DPGI -c -#OPT = -O6 +OPT = -O #OPT1 = -fbounds-check -g -O -OPT = -fbounds-check -g +#OPT = -fbounds-check -g OPT1 = -g # -Mvect <---slows down # -Minline=name:matmat2 <---false convergence -FFLAGS = -c ${OPT} -I. -FFLAGS1 = -c ${OPT1} -I. - -BIN = ../bin/unres_gfortran_single.exe -LIBS = -L../xdrf -lxdrf -CPPFLAGS = -DLINUX -DUNRES -DG77 -DSPLITELE -DPROCOR +LIBS = -Lxdrf -lxdrf #-DMOMENT #-DCO_BIAS #-DCRYST_TOR @@ -27,37 +24,52 @@ CPPFLAGS = -DLINUX -DUNRES -DG77 -DSPLITELE -DPROCOR ARCH = LINUX PP = /lib/cpp -P -all: unres +all: + @echo "Specify force field: GAB or E0LL2Y" .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 \ + matmult.o readrtns.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_32.o \ - test.o banach.o distfit.o rmsd.o elecont.o dihed_cons.o \ + MP.o compare_s1.o prng_32.o \ + banach.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 proc_proc.o + q_measure.o gnmr1.o test.o -unres: ${object} +GAB: CPPFLAGS = -DPROCOR -DLINUX -DUNRES -DISNAN \ + -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC +GAB: BIN = ../../../bin/unres/MD/unres_gfortran_single_GAB.exe +GAB: ${object} xdrf/libxdrf.a cc -o compinfo compinfo.c - ./compinfo + ./compinfo | true ${FC} ${FFLAGS} cinfo.f - ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN} + ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN} + +E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DUNRES -DISNAN \ + -DSPLITELE -DLANG0 +E0LL2Y: BIN = ../../../bin/unres/MD/unres_gfortran_single_E0LL2Y.exe +E0LL2Y: ${object} xdrf/libxdrf.a + cc -o compinfo compinfo.c + ./compinfo | true + ${FC} ${FFLAGS} cinfo.f + ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN} + +xdrf/libxdrf.a: + cd xdrf && make clean: - /bin/rm *.o + /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean newconf.o: newconf.F ${FC} ${FFLAGS} ${CPPFLAGS} newconf.F diff --git a/source/unres/src_MD/Makefile_single_gfortran-oldparm b/source/unres/src_MD/Makefile_single_gfortran-oldparm deleted file mode 100644 index a1063d0..0000000 --- a/source/unres/src_MD/Makefile_single_gfortran-oldparm +++ /dev/null @@ -1,120 +0,0 @@ -FC= gfortran -FFLAGS = -c ${OPT} -I. -FFLAGS1 = -c ${OPT1} -I. -CPPFLAGS = -DPROCOR -DLINUX -DG77 -DUNRES -DISNAN \ - -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC - -CC = cc - -CFLAGS = -DLINUX -DPGI -c - -OPT = -O -#OPT1 = -fbounds-check -g -O - -#OPT = -fbounds-check -g -OPT1 = -g - -# -Mvect <---slows down -# -Minline=name:matmat2 <---false convergence - -BIN = ../../../bin/unres/MD/unres_gfortran_single.exe -LIBS = -Lxdrf -lxdrf -#-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.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 \ - MP.o compare_s1.o prng_32.o \ - banach.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 test.o - -unres: ${object} xdrf/libxdrf.a - cc -o compinfo compinfo.c - ./compinfo | true - ${FC} ${FFLAGS} cinfo.f - ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN} - -xdrf/libxdrf.a: - cd xdrf && make - -clean: - /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean - -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} ${FFLAGS1} eigen.f - -blas.o: blas.f - ${FC} ${FFLAGS1} blas.f - -add.o: add.f - ${FC} ${FFLAGS1} add.f - -proc_proc.o: proc_proc.c - ${CC} ${CFLAGS} proc_proc.c diff --git a/source/unres/src_MD/cinfo.f b/source/unres/src_MD/cinfo.f index fcd0d5c..d3e68f7 100644 --- a/source/unres/src_MD/cinfo.f +++ b/source/unres/src_MD/cinfo.f @@ -1,29 +1,31 @@ C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C -C 2 5 29 +C 2 5 38 subroutine cinfo include 'COMMON.IOUNITS' write(iout,*)'++++ Compile info ++++' - write(iout,*)'Version 2.5 build 29' - write(iout,*)'compiled Thu Mar 29 08:43:59 2012' + write(iout,*)'Version 2.5 build 38' + write(iout,*)'compiled Mon Apr 2 08:28:34 2012' write(iout,*)'compiled by adam@matrix.chem.cornell.edu' write(iout,*)'OS name: Linux ' write(iout,*)'OS release: 2.6.34.9-69.fc13.x86_64 ' write(iout,*)'OS version:', & ' #1 SMP Tue May 3 09:23:03 UTC 2011 ' write(iout,*)'flags:' - write(iout,*)'FC= gfortran' - write(iout,*)'FFLAGS = -c ${OPT} -I.' - write(iout,*)'FFLAGS1 = -c ${OPT1} -I.' - write(iout,*)'CPPFLAGS = -DPROCOR -DLINUX -DG77 -DUNRES -DISN...' - write(iout,*)'CC = cc' - write(iout,*)'CFLAGS = -DLINUX -DPGI -c' - write(iout,*)'OPT = -O' - write(iout,*)'OPT1 = -g' - write(iout,*)'BIN = ../../../bin/unres/MD/unres_gfortran_sing...' - write(iout,*)'LIBS = -Lxdrf -lxdrf' + write(iout,*)'INSTALL_DIR = /users/software/mpich-1.2.7p1_int...' + write(iout,*)'FC= ifort' + write(iout,*)'OPT = -O3 -ip -w ' + write(iout,*)'FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include ' + write(iout,*)'FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...' + write(iout,*)'FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include ' + write(iout,*)'FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report ...' + write(iout,*)'LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr...' write(iout,*)'ARCH = LINUX' write(iout,*)'PP = /lib/cpp -P' write(iout,*)'object = unres.o arcos.o cartprint.o chainbuild...' + write(iout,*)'GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ...' + write(iout,*)'GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP...' + write(iout,*)'E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR...' + write(iout,*)'E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort...' write(iout,*)'++++ End of compile info ++++' return end