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introduction of shielding to cluster DEBUG mode
[unres.git]
/
source
/
cluster
/
wham
/
src-M
/
read_coords.F
diff --git
a/source/cluster/wham/src-M/read_coords.F
b/source/cluster/wham/src-M/read_coords.F
index
17f39a3
..
ac11ac0
100644
(file)
--- a/
source/cluster/wham/src-M/read_coords.F
+++ b/
source/cluster/wham/src-M/read_coords.F
@@
-178,13
+178,13
@@
c through a ring.
#endif
endif
#endif
endif
-#define DEBUG
+C#define DEBUG
#ifdef DEBUG
write (iout,*) "Opening file ",intinname(:ilen(intinname))
write (iout,*) "lenrec",lenrec_in
call flush(iout)
#endif
#ifdef DEBUG
write (iout,*) "Opening file ",intinname(:ilen(intinname))
write (iout,*) "lenrec",lenrec_in
call flush(iout)
#endif
-#undef DEBUG
+C#undef DEBUG
c write (iout,*) "maxconf",maxconf
i=0
do while (.true.)
c write (iout,*) "maxconf",maxconf
i=0
do while (.true.)
@@
-283,6
+283,7
@@
c write (iout,*) "nss",nss
enddo
enddo
endif
enddo
enddo
endif
+#define DEBUG
#ifdef DEBUG
write (iout,'(5hREAD ,i5,3f15.4,i10)')
& jj+1,energy(jj+1),entfac(jj+1),
#ifdef DEBUG
write (iout,'(5hREAD ,i5,3f15.4,i10)')
& jj+1,energy(jj+1),entfac(jj+1),
@@
-292,6
+293,7
@@
c write (iout,*) "nss",nss
write (iout,'(8f10.5)') ((c(j,i+nres),j=1,3),i=nnt,nct)
call flush(iout)
#endif
write (iout,'(8f10.5)') ((c(j,i+nres),j=1,3),i=nnt,nct)
call flush(iout)
#endif
+#undef DEBUG
call add_new_cconf(jjj,jj,jj_old,icount,Next)
enddo
101 continue
call add_new_cconf(jjj,jj,jj_old,icount,Next)
enddo
101 continue
@@
-640,10
+642,11
@@
c------------------------------------------------------------------------------
integer i,j,ij,ii,iii
integer len
character*16 form,acc
integer i,j,ij,ii,iii
integer len
character*16 form,acc
- character*32 nam
+ character*80 nam
c
c Read conformations off a DA scratchfile.
c
c
c Read conformations off a DA scratchfile.
c
+#define DEBUG
#ifdef DEBUG
write (iout,*) "DAREAD_COORDS"
write (iout,*) "istart_conf",istart_conf," iend_conf",iend_conf
#ifdef DEBUG
write (iout,*) "DAREAD_COORDS"
write (iout,*) "istart_conf",istart_conf," iend_conf",iend_conf
@@
-680,7
+683,10
@@
c & nss_all(ij),(ihpb_all(i,ij),jhpb_all(i,ij),i=1,nss),
& jhpb_all(i,ij),i=1,nss)
call flush(iout)
#endif
& jhpb_all(i,ij),i=1,nss)
call flush(iout)
#endif
+#undef DEBUG
enddo
enddo
+ write (iout,*) "just before leave"
+ call flush(iout)
return
end
c------------------------------------------------------------------------------
return
end
c------------------------------------------------------------------------------