common /srutu/ icall
double precision energy(0:n_ene)
double precision energy_long(0:n_ene),energy_short(0:n_ene)
+ double precision varia(maxvar)
if (indpdb.eq.0) call chainbuild
c time00=MPI_Wtime()
call chainbuild_cart
totT=1.d0
eq_time=0.0d0
c call read_fragments
- read(inp,*) t_bath
- call rescale_weights(t_bath)
+c read(inp,*) t_bath
+c call rescale_weights(t_bath)
call chainbuild_cart
call cartprint
call intout
return
end
c---------------------------------------------------------------------------
+#ifdef MPI
subroutine exec_mult_eeval_or_minim
implicit real*8 (a-h,o-z)
include 'DIMENSIONS'
enddo
return
end
+#else
+ subroutine exec_mult_eeval_or_minim
+ include 'DIMENSIONS'
+ include 'COMMON.IOUNITS'
+ write (iout,*) "Unsupported option in serial version"
+ return
+ end
+#endif
c---------------------------------------------------------------------------