13 NCON=ICON-1
#endif
- call flush(iout)
+c call flush(iout)
jj_old=1
open (icbase,file=bprotfiles,status="unknown",
& form="unformatted",access="direct",recl=lenrec)
if (iret.eq.0) then
write (iout,*) "Error: coordinate file ",
& intinname(:ilen(intinname))," does not exist."
- call flush(iout)
+#ifdef AIX
+ call flush_(iout)
+#else
+ call flush(iout)
+#endif
#ifdef MPI
call MPI_ABORT(MPI_COMM_WORLD,IERROR,ERRCODE)
#endif
endif
else
write (iout,*) "Error: coordinate format not specified"
- call flush(iout)
+#ifdef AIX
+ call flush_(iout)
+#else
+ call flush(iout)
+#endif
#ifdef MPI
call MPI_ABORT(MPI_COMM_WORLD,IERROR,ERRCODE)
#else
#ifdef DEBUG
write (iout,*) "Opening file ",intinname(:ilen(intinname))
write (iout,*) "lenrec",lenrec_in
- call flush(iout)
+#ifdef AIX
+ call flush_(iout)
+#else
+ call flush(iout)
+#endif
#endif
c write (iout,*) "maxconf",maxconf
i=0
call xdrfint(ixdrf, nss, iret)
c write (iout,*) "iret",iret
c write (iout,*) "nss",nss
- call flush(iout)
+c call flush(iout)
if (iret.eq.0) goto 101
do k=1,nss
cc if (dyn_ss) then
write (iout,*) "Conformation",jjj+1,jj+1
write (iout,'(8f10.5)') ((c(j,i),j=1,3),i=1,nres)
write (iout,'(8f10.5)') ((c(j,i+nres),j=1,3),i=nnt,nct)
- call flush(iout)
+#ifdef AIX
+ call flush_(iout)
+#else
+ call flush(iout)
+#endif
#endif
call add_new_cconf(jjj,jj,jj_old,icount,Next)
enddo
write (iout,'(8i10)') i,ntot_all(i)
enddo
write (iout,*) "Calculation terminated."
- call flush(iout)
+#ifdef AIX
+ call flush_(iout)
+#else
+ call flush(iout)
+#endif
return1
endif
return
#endif
1111 write(iout,*) "Error opening coordinate file ",
& intinname(:ilen(intinname))
+#ifdef AIX
+ call flush_(iout)
+#else
call flush(iout)
+#endif
return1
end
c------------------------------------------------------------------------------
c Master sends the portion of conformations that have been read in to the neighbor
#ifdef DEBUG
write (iout,*) "Processor",me," entered WRITE_AND_SEND_CONF"
+#ifdef AIX
+ call flush_(iout)
+#else
call flush(iout)
#endif
+#endif
call MPI_Send(icount,1,MPI_INTEGER,Next,570,MPI_COMM_WORLD,IERROR)
call MPI_Send(nss_all(1),icount,MPI_INTEGER,
& Next,571,MPI_COMM_WORLD,IERROR)
icount=1
#ifdef DEBUG
write (iout,*) "Processor",me," entered RECEIVE_AND_PASS_CONF"
+#ifdef AIX
+ call flush_(iout)
+#else
call flush(iout)
#endif
+#endif
do while (icount.gt.0)
call MPI_Recv(icount,1,MPI_INTEGER,Previous,570,MPI_COMM_WORLD,
& STATUS,IERROR)
inquire(unit=icbase,name=nam,recl=len,form=form,access=acc)
write (iout,*) "len=",len," form=",form," acc=",acc
write (iout,*) "nam=",nam
+#ifdef AIX
+ call flush_(iout)
+#else
call flush(iout)
#endif
+#endif
do ii=istart_conf,iend_conf
ij = ii - istart_conf + 1
iii=list_conf(ii)
#ifdef DEBUG
write (iout,*) "Reading binary file, record",iii," ii",ii
- call flush(iout)
+#ifdef AIX
+ call flush_(iout)
+#else
+ call flush(iout)
+#endif
#endif
if (dyn_ss) then
read(icbase,rec=iii) ((allcart(j,i,ij),j=1,3),i=1,nres),
write (iout,'(2e15.5)') entfac(ij)
write (iout,'(16i5)') nss_all(ij),(ihpb_all(i,ij),
& jhpb_all(i,ij),i=1,nss)
- call flush(iout)
+#ifdef AIX
+ call flush_(iout)
+#else
+ call flush(iout)
+#endif
#endif
enddo
return
inquire(unit=unit_out,name=nam,recl=len,form=form,access=acc)
write (iout,*) "len=",len," form=",form," acc=",acc
write (iout,*) "nam=",nam
+#ifdef AIX
+ call flush_(iout)
+#else
call flush(iout)
#endif
+#endif
do ii=istart_conf,iend_conf
iii=list_conf(ii)
ij = ii - istart_conf + 1
#ifdef DEBUG
write (iout,*) "Writing binary file, record",iii," ii",ii
- call flush(iout)
+#ifdef AIX
+ call flush_(iout)
+#else
+ call flush(iout)
+#endif
#endif
if (dyn_ss) then
write(unit_out,rec=iii) ((allcart(j,i,ij),j=1,3),i=1,nres),
write (iout,'(2e15.5)') entfac(ij)
write (iout,'(16i5)') nss_all(ij),(ihpb(i,ij),jhpb(i,ij),i=1,
& nss_all(ij))
- call flush(iout)
+#ifdef AIX
+ call flush_(iout)
+#else
+ call flush(iout)
+#endif
#endif
enddo
return