integer snk_p(MaxR,MaxT_h,Max_parm)
logical lerr
character*64 bprotfile_temp
+ integer scount_t(0:maxprocs-1)
call opentmp(islice,ientout,bprotfile_temp)
iii=0
ii=0
& " the value read in: ",energia(0),eini," point",
& iii+1,indstart(me1)+iii," T",
& 1.0d0/(1.987D-3*beta_h(ib,ipar))
+#ifdef DEBUG
call enerprint(energia(0),fT)
- write (iout,'(4f10.5,2i5)') 0.0,energia(0),0.0,
+ write (iout,'(4f10.5,2i5)') 0.0,energia(0),0.0,
& 1.0d0/(beta_h(ib,ipar)*1.987D-3),
& 0,0
- write(iout,'(8f10.5)')
+ write(iout,'(8f10.5)')
& ((c(l,k),l=1,3),k=1,nres),
& ((c(l,k+nres),l=1,3),k=nnt,nct)
-c itmp=ipdb
-c ipdb=iout
-c call pdbout(iii+1,beta_h(ib,ipar),
-c & eini,energia(0),0.0d0,rmsdev)
+ itmp=ipdb
+ ipdb=iout
+ call pdbout(iii+1,beta_h(ib,ipar),
+ & eini,energia(0),0.0d0,rmsdev)
write (iout,*)
ipdb=itmp
-
+#endif
errmsg_count=errmsg_count+1
if (errmsg_count.gt.maxerrmsg_count)
& write (iout,*) "Too many warning messages"
call flush(iout)
c Master gathers updated numbers of conformations written by all procs.
scme = scount(me)
- call MPI_AllGather( scount(me), 1, MPI_INTEGER, scount(0), 1,
+ call MPI_AllGather( scount(me), 1, MPI_INTEGER, scount_t(0), 1,
& MPI_INTEGER, WHAM_COMM, IERROR)
+ do k=0,nprocs-1
+ scount(k) = scount_t(k)
+ enddo
indstart(0)=1
indend(0)=scount(0)
do i=1, Nprocs-1