cd $AMBERHOME/src/sander
patch -p0 -N -r patch_rejects < sander.FixEVB.patch 

Author: Daniel R. Roe
Date: 2010-04-01
Description:
Fixes bug in the code that caused certain EVB tests to segfault:

cd evb/malon_dbonds_umb_dg_UFF_3DG_qi_full_2D-PMF && ./Run.evb
cd evb/malon_dbonds_umb_dg_UFF_3DG_qi_full_corrF && ./Run.evb

The array dmdlm in pimd_force.f:pimd_part_spring_force() was being accessed
even when itimass was 0 and dmdlm was NULL, resulting in the segfault.

Also rolls back a change to evb_umb.f:evb_umb().  The fharm array is 
being set to zero inside loops, which was causing inconsistent output in the
malon_dbonds_umb_dg_UFF_3DG_qi_full_2D-PMF test case. fharm is now set to
zero outside loops as before, restoring the behavior.
-----------------------------------------------------------------------------
--- pimd_force.f	2010-03-27 10:01:44.000000000 -0400
+++ pimd_force.f	2010-04-01 16:57:59.000000000 -0400
@@ -145,7 +145,7 @@
 #ifdef MPI
 #ifdef LES
 
-   if( i_qi > 0 ) then
+   if( i_qi > 0 .and. itimass > 0) then
 
       dlnCdd_dl = dvdl
 
--- evb_umb.f	2010-03-27 10:01:44.000000000 -0400
+++ evb_umb.f	2010-04-01 17:31:55.000000000 -0400
@@ -99,11 +99,11 @@
 
       case( "dbonds_umb", "qi_dbonds_pmf", "qi_dbonds_dyn" )
 
-!        fharm(:) = 0.0d0
+        fharm(:) = 0.0d0
 
          do n = 1, nbias
 
-            fharm(:) = 0.0d0
+!            fharm(:) = 0.0d0
 
             idx = ( dbonds_RC(n)%iatom - 1 ) * 3
             jdx = ( dbonds_RC(n)%jatom - 1 ) * 3
@@ -188,11 +188,11 @@
 
       case( "bond_umb", "qi_bond_pmf", "qi_bond_dyn" )
 
-!        fharm(:) = 0.0d0
+        fharm(:) = 0.0d0
 
          do n = 1, nbias
 
-            fharm(:) = 0.0d0
+!            fharm(:) = 0.0d0
 
             idx = ( bond_RC(n)%iatom - 1 ) * 3
             jdx = ( bond_RC(n)%jatom - 1 ) * 3