From 35f3e5b7d50754b0d98195bf5b9ea9c8329a5ce9 Mon Sep 17 00:00:00 2001
From: Berk Hess <hess@kth.se>
Date: Wed, 7 Mar 2018 08:18:04 +0100
Subject: [PATCH] Fix memory leak in PME

Now pme_spline_work is freed.

Change-Id: Ia959a85929b794c94a2befcce455151be1b6eca1
---
 src/gromacs/ewald/pme-spline-work.cpp | 8 ++++++++
 src/gromacs/ewald/pme-spline-work.h   | 4 +++-
 src/gromacs/ewald/pme.cpp             | 2 ++
 3 files changed, 13 insertions(+), 1 deletion(-)

diff --git a/src/gromacs/ewald/pme-spline-work.cpp b/src/gromacs/ewald/pme-spline-work.cpp
index 37b8b07190..ef2da9253e 100644
--- a/src/gromacs/ewald/pme-spline-work.cpp
+++ b/src/gromacs/ewald/pme-spline-work.cpp
@@ -84,3 +84,11 @@ pme_spline_work *make_pme_spline_work(int gmx_unused order)
 
     return work;
 }
+
+void destroy_pme_spline_work(pme_spline_work *work)
+{
+    if (work != nullptr)
+    {
+        gmx::AlignedAllocationPolicy::free(work);
+    }
+}
diff --git a/src/gromacs/ewald/pme-spline-work.h b/src/gromacs/ewald/pme-spline-work.h
index ded72e9b12..ae1297c5f6 100644
--- a/src/gromacs/ewald/pme-spline-work.h
+++ b/src/gromacs/ewald/pme-spline-work.h
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2014,2015, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2018, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -53,4 +53,6 @@ struct pme_spline_work
 
 pme_spline_work *make_pme_spline_work(int order);
 
+void destroy_pme_spline_work(pme_spline_work *work);
+
 #endif
diff --git a/src/gromacs/ewald/pme.cpp b/src/gromacs/ewald/pme.cpp
index 0f64912941..6aea248031 100644
--- a/src/gromacs/ewald/pme.cpp
+++ b/src/gromacs/ewald/pme.cpp
@@ -1723,6 +1723,8 @@ void gmx_pme_destroy(gmx_pme_t *pme)
     sfree(pme->sum_qgrid_tmp);
     sfree(pme->sum_qgrid_dd_tmp);
 
+    destroy_pme_spline_work(pme->spline_work);
+
     if (pme_gpu_active(pme) && pme->gpu)
     {
         pme_gpu_destroy(pme->gpu);
-- 
2.11.4.GIT