enddo
endif
#endif
- call mpi_scatter(i2set,1,mpi_integer,
- & iset,1,mpi_integer,king,
- & CG_COMM,ierr)
-
+Corrected AL 8/19/2014: each processor needs whole iset array not only its
+c own element
+c call mpi_scatter(i2set,1,mpi_integer,
+c & iset,1,mpi_integer,king,
+c & CG_COMM,ierr)
+ call mpi_bcast(i2set(0),nodes,mpi_integer,king,
+ & CG_COMM,ierr)
+ iset=i2set(me)
endif
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,*)'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
enddo
endif
#endif
- call mpi_scatter(i2set,1,mpi_integer,
- & iset,1,mpi_integer,king,
- & CG_COMM,ierr)
+Corrected AL 8/19/2014: each processor needs whole iset array not only its
+c own element
+c call mpi_scatter(i2set,1,mpi_integer,
+c & iset,1,mpi_integer,king,
+c & CG_COMM,ierr)
+ call mpi_bcast(i2set(0),nodes,mpi_integer,king,
+ & CG_COMM,ierr)
+ iset=i2set(me)
endif
C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C
-C 3 2 128
+C 3 2 132
subroutine cinfo
include 'COMMON.IOUNITS'
write(iout,*)'++++ Compile info ++++'
- write(iout,*)'Version 3.2 build 128'
- write(iout,*)'compiled Wed Dec 10 13:14:48 2014'
- write(iout,*)'compiled by adam@mmka'
+ write(iout,*)'Version 3.2 build 132'
+ write(iout,*)'compiled Mon Jan 5 06:40:38 2015'
+ write(iout,*)'compiled by adam@piasek4'
write(iout,*)'OS name: Linux '
- write(iout,*)'OS release: 3.2.0-72-generic '
+ write(iout,*)'OS release: 3.2.0-70-generic '
write(iout,*)'OS version:',
- & ' #107-Ubuntu SMP Thu Nov 6 14:24:01 UTC 2014 '
+ & ' #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,*)'FFLAGS = -c ${OPT} -I.'
- write(iout,*)'FFLAGS1 = -c ${OPT1} -I.'
- write(iout,*)'CC = cc'
- write(iout,*)'CFLAGS = -DLINUX -DPGI -c'
- write(iout,*)'OPT = -O -fbounds-check -g'
- write(iout,*)'OPT1 = -g '
- write(iout,*)'LIBS = -Lxdrf -lxdrf'
+ 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 -DAMD64 -DUNRE...'
- write(iout,*)'GAB: BIN = ../../../bin/unres/MD/unres_gfortran...'
- write(iout,*)'4P: CPPFLAGS = -DLINUX -DAMD64 -DUNRES -DISNAN \\'
- write(iout,*)' -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA ...'
- write(iout,*)'4P: BIN = ../../../bin/unres/MD/unres_gfortran_...'
- write(iout,*)'E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DAMD64 -DU...'
+ write(iout,*)'GAB: CPPFLAGS = -DPROCOR -DLINUX -DG77 -DAMD64 ...'
+ write(iout,*)'GAB: BIN = ../../../bin/unres/MD/unres_gfort_MP...'
+ write(iout,*)'4P: CPPFLAGS = -DLINUX -DG77 -DAMD64 -DUNRES -D...'
+ write(iout,*)'4P: BIN = ../../../bin/unres/MD/unres_gfort_MPI...'
+ write(iout,*)'E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DG77 -DAMD...'
write(iout,*)'E0LL2Y: BIN = ../../../bin/unres/MD/unres_gfort...'
write(iout,*)'++++ End of compile info ++++'
return
+++ /dev/null
-C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C
-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