src/programs/mdrun/tests/domain_decomposition.cpp

   1 /*
   2  * This file is part of the GROMACS molecular simulation package.
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   4  * Copyright (c) 2015, by the GROMACS development team, led by
   5  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
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  35
  36 /*! \internal \file
  37  * \brief
  38  * Tests special cases in domain decomposition
  39  *
  40  * \author Mark Abraham <mark.j.abraham@gmail.com>
  41  * \ingroup module_mdrun_integration_tests
  42  */
  43 #include "gmxpre.h"
  44
  45 #include <string>
  46
  47 #include <gtest/gtest.h>
  48
  49 #include "testutils/cmdlinetest.h"
  50
  51 #include "moduletest.h"
  52
  53 namespace
  54 {
  55
  56 //! Test fixture for domain decomposition special cases
  57 class DomainDecompositionSpecialCasesTest : public gmx::test::MdrunTestFixture
  58 {
  59 };
  60
  61 //! When run with 2+ domains, ensures an empty cell, to make sure that zero-sized things work
  62 TEST_F(DomainDecompositionSpecialCasesTest, AnEmptyDomainWorks)
  63 {
  64     runner_.useStringAsMdpFile("cutoff-scheme = Verlet\n");
  65     runner_.useTopGroAndNdxFromDatabase("spc2");
  66     /* Over-ride the use of spc2.gro with one with both waters close
  67      * together.
  68      *
  69      * TODO Maybe refactor to avoid over-writing the .gro filename set
  70      * above. */
  71     runner_.useGroFromDatabase("spc2_and_vacuum");
  72     ASSERT_EQ(0, runner_.callGrompp());
  73
  74     ASSERT_EQ(0, runner_.callMdrun());
  75 }
  76
  77 } // namespace