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38 * Tests utilities for interactive molecular dynamics (IMD) setups.
40 * \author Carsten Kutzner <ckutzne@gwdg.de>
41 * \ingroup module_mdrun
43 #include "moduletest.h"
50 class ImdTestFixture : public MdrunTestFixture
58 ImdTestFixture::ImdTestFixture()
62 ImdTestFixture::~ImdTestFixture()
67 //! Test fixture for mdrun with IMD settings
68 typedef gmx::test::ImdTestFixture ImdTest;
70 /* If GROMACS was compiled with IMD support, this test checks
71 * - whether the IMD-group parameter from the .mdp file is understood,
72 * - whether mdrun understands the IMD-related command line parameters -imdpull, -imdwait, -imdterm,
73 * - whether mdrun finishes without error when IMD is enabled.
75 TEST_F(ImdTest, ImdCanRun)
77 std::string name = "spc2";
78 useTopGroAndNdxFromDatabase(name.c_str());
79 mdpInputFileName = fileManager_.getInputFilePath((name + "-IMD.mdp").c_str());
81 EXPECT_EQ(0, callGrompp());
83 ::gmx::test::CommandLine imdCaller;
84 imdCaller.append("mdrun");
86 imdCaller.addOption("-imdport", 0); // automatically assign a free port
87 imdCaller.append("-imdpull");
88 imdCaller.append("-noimdwait"); // cannot use -imdwait: then mdrun would not return control ...
89 imdCaller.append("-noimdterm");
91 // Do an mdrun with IMD enabled
92 ASSERT_EQ(0, callMdrun(imdCaller));