Fix MPI build

PHOTOX · Apr 3, 2022 · 8161401 · 8161401
1 parent a170cac
commit 8161401
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Showing 3 changed files with 1 addition and 4 deletions.
diff --git a/src/abin.F90 b/src/abin.F90
@@ -37,7 +37,7 @@ program abin
    use mod_terampi_sh, only: move_new2old_terash
    use mod_mpi, only: get_mpi_rank, mpi_barrier_wrapper
 #ifdef USE_MPI
-   use mod_remd, only: remd_swap
+   use mod_remd, only: remd_swap, nswap
 #endif
    implicit none
    real(DP) :: dt = 20.0D0, eclas = 0.0D0, equant = 0.0D0

diff --git a/src/init.F90 b/src/init.F90
@@ -290,8 +290,6 @@ subroutine init(dt)
    ! Allocate all basic arrays and set them to 0.0d0
    call allocate_arrays(natom, nwalk)
 
-   ! TODO: I think this is wrongly placed!
-   ! We don't have masses here, yet we pass them in to Plumed!
    if (iplumed == 1) then
       call plumed_init()
    end if

diff --git a/src/mdstep.F90 b/src/mdstep.F90
@@ -55,7 +55,6 @@ subroutine initialize_integrator(dt, ipimd, inormalmodes, nshake, pot, pot_ref)
       end if
 
       ! Selecting proper integrator for a given MD type
-      ! (controlled by variable 'md')
       if (ipimd == 2 .or. ipimd == 5) then
          mdstep => verletstep
          nabin = 1