Fix tune_pme

There was an issue with the file option for the tpr file being empty
that caused a segmentation fault.

Fixes #2827

Change-Id: I2702898d071d6e9325fa2e7ebb223b9043b7109e

diff --git a/docs/release-notes/2019/2019.1.rst b/docs/release-notes/2019/2019.1.rst
index 88bdcb2943f18ebba227c57ef423c17e6fcf07ce..94e14411421bd4fc24e5ce57b68f609ae17ba9df 100644 (file)
--- a/docs/release-notes/2019/2019.1.rst
+++ b/docs/release-notes/2019/2019.1.rst
@@ -92,6 +92,13 @@ again be used even when a .tpr file is not supplied.
 
 :issue:`2847`
 
+Fix tune_pme
+---------------------------------------------------------
+
+The tool did not work due to a file reading error that is fixed now.
+
+:issue:`2827`
+
 Fixes that affect portability
 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
 

diff --git a/src/gromacs/gmxana/gmx_tune_pme.cpp b/src/gromacs/gmxana/gmx_tune_pme.cpp
index c0285e4a189d11c47c8b5581cfdef8611a0ae5af..264d2d8e0cfc3007d1b22c7c013a3ab6e7f042f0 100644 (file)
--- a/src/gromacs/gmxana/gmx_tune_pme.cpp
+++ b/src/gromacs/gmxana/gmx_tune_pme.cpp
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2009,2010,2011,2012,2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2009,2010,2011,2012,2013,2014,2015,2016,2017,2018,2019, 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.
@@ -2169,7 +2169,7 @@ int gmx_tune_pme(int argc, char *argv[])
         { efLOG, "-err",    "bencherr", ffWRITE },
         { efTPR, "-so",     "tuned",    ffWRITE },
         /* mdrun: */
-        { efTPR, nullptr,      nullptr,       ffREAD },
+        { efTPR, "-s",      nullptr,       ffREAD },
         { efTRN, "-o",      nullptr,       ffWRITE },
         { efCOMPRESSED, "-x", nullptr,     ffOPTWR },
         { efCPT, "-cpi",    nullptr,       ffOPTRD },