Fixing segfault in parallel MiMiC QM/MM runs

Removed unnecessary copy of coordinate array from global state to
the local one that was causing memory corruption.

Fixes #2753

Change-Id: I6d0bc6edfabc1444d7d24eb2d5401b6ff174a57d

diff --git a/src/gromacs/mdrun/mimic.cpp b/src/gromacs/mdrun/mimic.cpp
index 859779574e0abf47a2562fcad10ab3bc8495b7e7..26f578009dede09e4f148a9943c1f6d9c3db418b 100644 (file)
--- a/src/gromacs/mdrun/mimic.cpp
+++ b/src/gromacs/mdrun/mimic.cpp
@@ -392,10 +392,6 @@ void gmx::Integrator::do_mimic()
         if (MASTER(cr))
         {
             mimicCommunicator.getCoords(&state_global->x, state_global->natoms);
-            for (int i = 0; i < state_global->natoms; i++)
-            {
-                copy_rvec(state_global->x[i], state->x[i]);
-            }
         }
 
         if (ir->efep != efepNO)