From: Adam Liwo Date: Mon, 5 Jan 2015 05:50:09 +0000 (+0100) Subject: Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda.pl:unres into prerelease-3.2.1 X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=71ab8ad9b5eacd0bbf5c069f91191d293f43f4de Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda.pl:unres into prerelease-3.2.1 Conflicts: source/unres/src_MD-M/cinfo.f source/wham/src-M/cinfo.f --- 71ab8ad9b5eacd0bbf5c069f91191d293f43f4de diff --cc source/unres/src_MD-M/cinfo.f index 8679a2c,237f29d..708ae58 --- a/source/unres/src_MD-M/cinfo.f +++ b/source/unres/src_MD-M/cinfo.f @@@ -1,34 -1,33 +1,66 @@@ C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C ++<<<<<<< HEAD +C 0 40360 35 + subroutine cinfo + include 'COMMON.IOUNITS' + write(iout,*)'++++ Compile info ++++' + write(iout,*)'Version 0.40360 build 35' + write(iout,*)'compiled Mon Jan 5 06:42:38 2015' + write(iout,*)'compiled by adam@piasek4' + write(iout,*)'OS name: Linux ' + write(iout,*)'OS release: 3.2.0-70-generic ' + write(iout,*)'OS version:', + & ' #105-Ubuntu SMP Wed Sep 24 19:49:16 UTC 2014 ' + write(iout,*)'flags:' + write(iout,*)'INSTALL_DIR = /users/software/mpich2-1.0.7' + write(iout,*)'FC= gfortran' + write(iout,*)'OPT = -O' + write(iout,*)'FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include' + write(iout,*)'FFLAGS1 = -c -I$(INSTALL_DIR)/include' + write(iout,*)'FFLAGS2 = -c -O0 -I$(INSTALL_DIR)/include' + write(iout,*)'FFLAGS3 = -c -O -I$(INSTALL_DIR)/include' + write(iout,*)'FFLAGSE = -c -O3 -I$(INSTALL_DIR)/include' + write(iout,*)'LIBS = -L$(INSTALL_DIR)/lib -lmpich -lpthread x...' + 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 -DG77 -DAMD64 ...' + write(iout,*)'GAB: BIN = ../../../bin/unres/MD/unres-D-symetr...' + write(iout,*)'4P: CPPFLAGS = -DLINUX -DG77 -DAMD64 -DUNRES -D...' + write(iout,*)'4P: BIN = ../../../bin/unres/MD/unres-mult-syme...' + write(iout,*)'E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DG77 -DAMD...' + write(iout,*)'E0LL2Y: BIN = ../../../bin/unres/MD/unres-mult-...' ++======= + C 2 3 3460 + subroutine cinfo + include 'COMMON.IOUNITS' + write(iout,*)'++++ Compile info ++++' + write(iout,*)'Version 2.3 build 3460' + write(iout,*)'compiled Mon Oct 29 07:58:47 2012' + write(iout,*)'compiled by aks255@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,*)'CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI \\' + write(iout,*)' -DPGI -DSPLITELE -DISNAN -DAMD64 \\' + write(iout,*)' -DPROCOR -DLANG0 \\' + write(iout,*)' -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORP...' + write(iout,*)'INSTALL_DIR = /users/software/mpich-1.2.7p1_int...' + write(iout,*)'FC= ifort' + write(iout,*)'OPT = -O3 -ip -w' + write(iout,*)'CFLAGS = -DSGI -c' + write(iout,*)'FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include' + write(iout,*)'FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...' + write(iout,*)'FFLAGS2 = -c -w -O0 -I$(INSTALL_DIR)/include' + write(iout,*)'FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report ...' + write(iout,*)'BIN = ../../../bin/unres/MD-M/unres_Tc_procor_o...' + write(iout,*)'LIBS = -L$(INSTALL_DIR)/lib -lmpich ../../lib/x...' + write(iout,*)'ARCH = LINUX' + write(iout,*)'PP = /lib/cpp -P' + write(iout,*)'object = unres.o arcos.o cartprint.o chainbuild...' ++>>>>>>> 641d04ddae7b3a57c3c949f3f980374896c94b58 write(iout,*)'++++ End of compile info ++++' return end diff --cc source/wham/src-M/cinfo.f index 009c78b,0672985..0000000 deleted file mode 100644,100644 --- a/source/wham/src-M/cinfo.f +++ /dev/null @@@ -1,65 -1,63 +1,0 @@@ --C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C - C 0 40360 6 - subroutine cinfo - include 'COMMON.IOUNITS' - write(iout,*)'++++ Compile info ++++' - write(iout,*)'Version 0.40360 build 6' - write(iout,*)'compiled Thu Dec 11 14:59:22 2014' - write(iout,*)'compiled by adam@mmka' - write(iout,*)'OS name: Linux ' - write(iout,*)'OS release: 3.2.0-72-generic ' - write(iout,*)'OS version:', - & ' #107-Ubuntu SMP Thu Nov 6 14:24:01 UTC 2014 ' - write(iout,*)'flags:' - write(iout,*)'INSTALL_DIR = /users/software/mpich-1.2.7p1_int...' - write(iout,*)'BIN = ../../../bin/wham' - write(iout,*)'FC= ifort' - write(iout,*)'OPT = -mcmodel=medium -O3 -ip -w ' - write(iout,*)'FFLAGS = ${OPT} -c -I. -I./include_unres -I$(IN...' - write(iout,*)'LIBS = -L$(INSTALL_DIR)/lib -lmpich -lpmpich xd...' - write(iout,*)'objects = \\' - write(iout,*)' wham_multparm.o \\' - write(iout,*)' bxread.o \\' - write(iout,*)' xread.o \\' - write(iout,*)' cxread.o \\' - write(iout,*)' enecalc1.o \\' - write(iout,*)' energy_p_new.o \\' - write(iout,*)' gnmr1.o \\' - write(iout,*)' initialize_p.o \\' - write(iout,*)' molread_zs.o \\' - write(iout,*)' openunits.o \\' - write(iout,*)' readrtns.o \\' - write(iout,*)' arcos.o \\' - write(iout,*)' cartder.o \\' - write(iout,*)' cartprint.o \\' - write(iout,*)' chainbuild.o \\' - write(iout,*)' geomout.o \\' - write(iout,*)' icant.o \\' - write(iout,*)' intcor.o \\' - write(iout,*)' int_from_cart.o \\' - write(iout,*)' make_ensemble1.o \\' - write(iout,*)' matmult.o \\' - write(iout,*)' misc.o \\' - write(iout,*)' mygetenv.o \\' - write(iout,*)' parmread.o \\' - write(iout,*)' pinorm.o \\' - write(iout,*)' printmat.o \\' - write(iout,*)' proc_proc.o \\' - write(iout,*)' rescode.o \\' - write(iout,*)' setup_var.o \\' - write(iout,*)' slices.o \\' - write(iout,*)' store_parm.o \\' - write(iout,*)' timing.o \\' - write(iout,*)' read_dist_constr.o \\' - write(iout,*)' permut.o \\' - write(iout,*)' wham_calc1.o' - write(iout,*)'objects_compar = \\' - write(iout,*)' readrtns_compar.o \\' - write(iout,*)' readpdb.o fitsq.o contact.o \\' - write(iout,*)' elecont.o contfunc.o cont_frag.o conf_c...' - write(iout,*)'GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITEL...' - write(iout,*)'4P: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE...' - write(iout,*)'E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLI...' - write(iout,*)'++++ End of compile info ++++' - return - end -C 0 0 700 - subroutine cinfo - include 'COMMON.IOUNITS' - write(iout,*)'++++ Compile info ++++' - write(iout,*)'Version 0.0 build 700' - write(iout,*)'compiled Tue Oct 30 05:53:04 2012' - write(iout,*)'compiled by aks255@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,*)'INSTALL_DIR = /users/software/mpich-1.2.7p1_int...' - write(iout,*)'BIN = ../../../bin' - write(iout,*)'CC = cc' - write(iout,*)'FC = ifort' - write(iout,*)'OPT = -g -CB' - write(iout,*)'FFLAGS = -c ${OPT} -I. -I./include_unres -I$(IN...' - write(iout,*)'LIBS = -L$(INSTALL_DIR)/lib -lmpich ../../lib/x...' - write(iout,*)'CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DP...' - write(iout,*)'objects = \\' - write(iout,*)' wham_multparm.o \\' - write(iout,*)' bxread.o \\' - write(iout,*)' xread.o \\' - write(iout,*)' cxread.o \\' - write(iout,*)' enecalc1.o \\' - write(iout,*)' energy_p_new.o \\' - write(iout,*)' gnmr1.o \\' - write(iout,*)' initialize_p.o \\' - write(iout,*)' molread_zs.o \\' - write(iout,*)' openunits.o \\' - write(iout,*)' readrtns.o \\' - write(iout,*)' read_dist_constr.o \\' - write(iout,*)' arcos.o \\' - write(iout,*)' cartder.o \\' - write(iout,*)' cartprint.o \\' - write(iout,*)' chainbuild.o \\' - write(iout,*)' geomout.o \\' - write(iout,*)' icant.o \\' - write(iout,*)' intcor.o \\' - write(iout,*)' int_from_cart.o \\' - write(iout,*)' make_ensemble1.o \\' - write(iout,*)' matmult.o \\' - write(iout,*)' misc.o \\' - write(iout,*)' mygetenv.o \\' - write(iout,*)' parmread.o \\' - write(iout,*)' pinorm.o \\' - write(iout,*)' printmat.o \\' - write(iout,*)' proc_proc.o \\' - write(iout,*)' rescode.o \\' - write(iout,*)' setup_var.o \\' - write(iout,*)' slices.o \\' - write(iout,*)' store_parm.o \\' - write(iout,*)' timing.o \\' - write(iout,*)' wham_calc1.o' - write(iout,*)'objects_compar = \\' - write(iout,*)' readrtns_compar.o \\' - write(iout,*)' readpdb.o permut.o fitsq.o contact.o \\' - write(iout,*)' elecont.o contfunc.o cont_frag.o conf_c...' - write(iout,*)'++++ End of compile info ++++' - return - end