********>bugfix.46:
Author: Ross Walker
Date: 2/6/2009

Programs: sander

Description: Some missing initialization statements can cause allocation
             failures on some machines when running QMMM.

Apply the following patch to $AMBERHOME/src/sander/qmmm_module.f
                             $AMBERHOME/src/sander/qm2_scf.f

------------------------------------------------------------------------------
--- qmmm_module.f	2009-02-06 08:51:12.000000000 -0800
+++ qmmm_module.f	2009-02-06 08:51:26.000000000 -0800
@@ -1279,6 +1279,10 @@
 
    end if
 
+!Initialize nlink to 0
+   qmmm_struct%nlink = 0
+   qmmm_struct%nquant_nlink = qmmm_struct%nquant
+
 ! Test to see if QM atom selection is legal.
    call validate_qm_atoms(iqmatoms,qmmm_struct%nquant,natom)
 
--- qm2_scf.f	2009-02-06 08:51:35.000000000 -0800
+++ qm2_scf.f	2009-02-06 08:52:19.000000000 -0800
@@ -108,10 +108,10 @@
     allow_pseudo_diag = .false.
     pseudo_converged = .false.
     eold = zero
-    density_diff=zero
-    energy_diff=zero
-    smallest_energy_diff(1) = 1.0E30
-    smallest_energy_diff(2) = 1.0E30
+    energy_diff=huge(energy_diff)
+    density_diff = huge(density_diff)
+    smallest_energy_diff(1) = huge(smallest_energy_diff(1))
+    smallest_energy_diff(2) = huge(smallest_energy_diff(2))
     sm_energy_diff_step_number = 0
 
     if (qmmm_nml%verbosity > 2 .and. qmmm_mpi%master) then
------------------------------------------------------------------------------
Temporary workarounds: None