+++ /dev/null
- real coord(3,1000)
- real prec,time,potE,uconst,t_bath,qfrag(100)
- integer ihpb(100),jhpb(100),iset
- character*80 arg
-
- print *,"start"
- call getarg(1,arg)
-
- print *,arg
-#ifdef BLUEGENE
- call xdrfopen_(ixdrf,arg, "r", iret)
-
- do while(.true.)
- call xdrffloat_(ixdrf, time, iret)
- if(iret.eq.0) goto 10
- call xdrffloat_(ixdrf, potE, iret)
- call xdrffloat_(ixdrf, uconst, iret)
- call xdrffloat_(ixdrf, t_bath, iret)
- call xdrfint_(ixdrf, nss, iret)
- do j=1,nss
- call xdrfint_(ixdrf, ihpb(j), iret)
- call xdrfint_(ixdrf, jhpb(j), iret)
- enddo
- call xdrfint_(ixdrf, nfrag, iret)
- call xdrfint_(ixdrf, iset, iret)
- do i=1,nfrag
- call xdrffloat_(ixdrf, qfrag(i), iret)
- enddo
- prec=10000.0
-
- isize=0
- call xdrf3dfcoord_(ixdrf, coord, isize, prec, iret)
-#else
- call xdrfopen(ixdrf,arg, "r", iret)
-
- do while(.true.)
- call xdrffloat(ixdrf, time, iret)
- if(iret.eq.0) goto 10
- call xdrffloat(ixdrf, potE, iret)
- call xdrffloat(ixdrf, uconst, iret)
- call xdrffloat(ixdrf, t_bath, iret)
- call xdrfint(ixdrf, nss, iret)
- do j=1,nss
- call xdrfint(ixdrf, ihpb(j), iret)
- call xdrfint(ixdrf, jhpb(j), iret)
- enddo
- call xdrfint(ixdrf, nfrag, iret)
- call xdrfint(ixdrf, iset, iret)
- do i=1,nfrag
- call xdrffloat(ixdrf, qfrag(i), iret)
- enddo
- prec=10000.0
-
- isize=0
- call xdrf3dfcoord(ixdrf, coord, isize, prec, iret)
-#endif
-
- write (*,'(e15.8,2e15.5,f12.5,$)') time,potE,uconst,t_bath
- write (*,'(i4,$)') nss,(ihpb(j),jhpb(j),j=1,nss)
- write (*,'(i4)') iset
- write (*,'(i4,20f7.4)') nfrag,(qfrag(i),i=1,nfrag)
- write (*,'(8f10.5)') ((coord(k,j),k=1,3),j=1,isize)
- enddo
- 10 continue
- end