Dear Colleague,

Bugs have been found in the Dissipative Particle Dynamics (DPD) code and one of 
the DPD utililties of DL_MESO 2.5.

Incorrect modifications to the Ewald reciprocal space coordinates for shearing 
systems are currently being applied due to a logic bug. To fix this bug, please 
replace line 293 in ewald_module.f90 with

  IF (srfz>0) THEN

The utility exportconfig.f90 (which produces a CONFIG file from restart files) 
also includes a bug that causes an error message when the restart file includes 
a second set of forces, i.e. when DPD Velocity Verlet integration is used for 
the simulation. To fix this bug, please replace line 37 with

  REAL(KIND=dp), ALLOCATABLE :: xxx (:), yyy (:), zzz (:), vxx (:), vyy (:), vzz (:)
  REAL(KIND=dp), ALLOCATABLE :: fxx (:), fyy (:), fzz (:), fvv (:)

line 41 with

  REAL(KIND=dp) :: vold, delx, dely, delz, not1, nmin

insert the following line immediately before line 218

  limit = MAXVAL (nbeads)

replace line 220 with

  IF (levcfg>1) ALLOCATE (fxx (nsyst), fyy (nsyst), fzz (nsyst), fvv (limit))

and lines 286 to 299 inclusive with

  IF (varforce) THEN
    READ (nsave+j-1) (fvv (i), i = 1, bd)
    DO i = 1, bd
      fxx (lab(i)) = fxx (lab(i)) + fvv (i)
    END DO
    READ (nsave+j-1) (fvv (i), i = 1, bd)
    DO i = 1, bd
      fyy (lab(i)) = fyy (lab(i)) + fvv (i)
    END DO
    READ (nsave+j-1) (fvv (i), i = 1, bd)
    DO i = 1, bd
      fzz (lab(i)) = fzz (lab(i)) + fvv (i)
    END DO
  END IF

Minor corrections have also been made to the user manual: this can be downloaded 
from the main DL_MESO website.

We strongly recommend that all registered users of DL_MESO version 2.5 should 
either make the above code changes or re-download the package using the 
instructions received on registration to get the corrected version of the 
software. Re-registration is not required and the same password is used for 
decryption.

Michael Seaton
2012-10-12