Increase spc minimization test tolerance

This is needed because of larger differences when running
this test on multiple ranks.

Change-Id: I3056ae5933800e30e274791e8d27e2b8e79f6e04

diff --git a/src/programs/mdrun/tests/minimize.cpp b/src/programs/mdrun/tests/minimize.cpp
index af14a7ddb492e765cc74bffa88e1a3760bef4a63..ffb0524fc76a3e404702ed003d5997fd7d77614e 100644 (file)
--- a/src/programs/mdrun/tests/minimize.cpp
+++ b/src/programs/mdrun/tests/minimize.cpp
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2018, by the GROMACS development team, led by
+ * Copyright (c) 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.
@@ -96,7 +96,7 @@ std::unordered_map<std::string, FloatingPointTolerance> potentialEnergyTolerance
      },
      {
          "spc5",
-         relativeToleranceAsPrecisionDependentUlp(-50, 150, 3800)
+         relativeToleranceAsPrecisionDependentUlp(-50, 200, 3800)
      },
      {
          "glycine_vacuo",