Migrate TPI testing to Verlet scheme

For now, this also disables TPI testing, since TPI does not yet
support the Verlet scheme. If that gets fixed before this change gets
incorporated, the test should not be disabled.

Refs #2391

Change-Id: I83483bd23a03e9175571f2194dae0df96960e6c7

diff --git a/src/programs/mdrun/tests/CMakeLists.txt b/src/programs/mdrun/tests/CMakeLists.txt
index 9a187972dc37b2a0e36cefec36fee2b57e6e7850..df9ca8b87aa582743322f20418d8ce757c708d6a 100644 (file)
--- a/src/programs/mdrun/tests/CMakeLists.txt
+++ b/src/programs/mdrun/tests/CMakeLists.txt
@@ -1,7 +1,7 @@
 #
 # This file is part of the GROMACS molecular simulation package.
 #
-# Copyright (c) 2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+# Copyright (c) 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.
@@ -78,29 +78,13 @@ gmx_add_gtest_executable(
     minimize.cpp
     normalmodes.cpp
     rerun.cpp
-    # pseudo-library for code for testing mdrun
-    $<TARGET_OBJECTS:mdrun_test_objlib>
-    # pseudo-library for code for mdrun
-    $<TARGET_OBJECTS:mdrun_objlib>
-    )
-gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST)
-
-# To permit other end-to-end tests to run with multiple OpenMP
-# threads, test cases that still use the group scheme are separated.
-set(testname "LegacyGroupSchemeMdrunTests")
-set(exename "legacy-mdrun-test")
-
-gmx_add_gtest_executable(
-    ${exename}
-    # When TPI supports the Verlet scheme, move this into
-    # MdrunNonIntegratorTest
     tpitest.cpp
     # pseudo-library for code for testing mdrun
     $<TARGET_OBJECTS:mdrun_test_objlib>
     # pseudo-library for code for mdrun
     $<TARGET_OBJECTS:mdrun_objlib>
     )
-gmx_register_gtest_test(${testname} ${exename} INTEGRATION_TEST)
+gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST)
 
 # Tests that only make sense to run with multiple ranks and/or real
 # MPI are implemented here.

diff --git a/src/programs/mdrun/tests/tpitest.cpp b/src/programs/mdrun/tests/tpitest.cpp
index e3dc3115f9e349b93c026503708be9c71d96eb53..1258a57f9d6a32580345c66f9aec23e1088df294 100644 (file)
--- a/src/programs/mdrun/tests/tpitest.cpp
+++ b/src/programs/mdrun/tests/tpitest.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.
@@ -118,7 +118,7 @@ TEST_P(TpiTest, ReproducesOutput)
         rtpi                     = 0.05
         nstlog                   = 0
         nstenergy                = 0
-        cutoff-scheme            = group
+        cutoff-scheme            = Verlet
         nstlist                  = 10
         ns_type                  = grid
         rlist                    = 0.9
@@ -139,7 +139,8 @@ TEST_P(TpiTest, ReproducesOutput)
     runTest();
 }
 
-INSTANTIATE_TEST_CASE_P(Simple, TpiTest, ::testing::Values(1993, 2994));
+// Should be re-enabled when TPI supports the Verlet scheme
+INSTANTIATE_TEST_CASE_P(DISABLED_Simple, TpiTest, ::testing::Values(1993, 2994));
 
 }  // namespace
 }  // namespace test