FFLAGS1 = -c -g -CA -CB -I$(INSTALL_DIR)/include
FFLAGS2 = -c -g -O0 -I$(INSTALL_DIR)/include
FFLAGSE = -c -O3 -ipo -opt_report -I$(INSTALL_DIR)/include
- FFLAGS = ${FFLAGS1}
- FFLAGSE = ${FFLAGS1}
-# FFLAGS = ${FFLAGS1}
-# FFLAGSE = ${FFLAGS1}
++#FFLAGS = ${FFLAGS1}
++#FFLAGSE = ${FFLAGS1}
LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C
- C 0 40376 3
-C 3 2 307
++C 0 40376 2
subroutine cinfo
include 'COMMON.IOUNITS'
write(iout,*)'++++ Compile info ++++'
- write(iout,*)'Version 0.40376 build 3'
- write(iout,*)'compiled Wed Feb 25 11:40:13 2015'
- write(iout,*)'Version 3.2 build 307'
- write(iout,*)'compiled Wed Feb 25 10:53:24 2015'
- write(iout,*)'compiled by czarek@piasek4'
++ write(iout,*)'Version 0.40376 build 2'
++ write(iout,*)'compiled Wed Feb 25 14:06:14 2015'
+ write(iout,*)'compiled by felipe@piasek4'
write(iout,*)'OS name: Linux '
write(iout,*)'OS release: 3.2.0-70-generic '
write(iout,*)'OS version:',
if (constr_homology.ge.1) then
call e_modeller(ehomology_constr)
-- print *,'iset=',iset,'me=',me,ehomology_constr,
-- & 'Processor',fg_rank,' CG group',kolor,
-- & ' absolute rank',MyRank
++c print *,'iset=',iset,'me=',me,ehomology_constr,
++c & 'Processor',fg_rank,' CG group',kolor,
++c & ' absolute rank',MyRank
else
ehomology_constr=0.0d0
endif
c
c ehomology_constr=odleg+kat
if (homol_nset.gt.1)then
-- ehomology_constr=waga_dist1(iset)*odleg+waga_angle1(iset)*kat+waga_theta*Eval
++ ehomology_constr=waga_dist1(iset)*odleg+waga_angle1(iset)*kat
++ & +waga_theta*Eval
& +waga_d*Erot
else
ehomology_constr=waga_dist*odleg+waga_angle*kat+waga_theta*Eval
common /pizda/ itype_pdb
logical seq_comp,fail
double precision energia(0:n_ene)
++
integer ilen
external ilen
C
34 continue
c print *,'Begin reading pdb data'
call readpdb
++ do i=1,2*nres
++ do j=1,3
++ crefjlee(j,i)=c(j,i)
++ enddo
++ enddo
c print *,'Finished reading pdb data'
if(me.eq.king.or..not.out1file)
& write (iout,'(a,i3,a,i3)')'nsup=',nsup,
if (constr_homology.gt.0) then
call read_constr_homology
++ if (indpdb.gt.0 .or. pdbref) then
++ do i=1,2*nres
++ do j=1,3
++ c(j,i)=crefjlee(j,i)
++ cref(j,i)=crefjlee(j,i)
++ enddo
++ enddo
++ endif
else
homol_nset=0
endif
c tpl_k_sigma_theta="template"//kic2//".sigma_theta"
c tpl_k_sigma_d="template"//kic2//".sigma_d"
++ unres_pdb=.false.
call readpdb
c
c Distance restraints