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38 * Tests for the mdrun -x functionality
40 * \author Mark Abraham <mark.j.abraham@gmail.com>
41 * \ingroup module_mdrun
45 #include "moduletest.h"
46 #include <gtest/gtest.h>
48 #include "gromacs/options/filenameoption.h"
49 #include "gromacs/tools/check.h"
50 #include "testutils/cmdlinetest.h"
55 //! Test fixture for mdrun -x
56 class CompressedXOutputTest : public gmx::test::MdrunTestFixture,
57 public testing::WithParamInterface<const char*>
61 /* Among other things, this test ensures mdrun can write a compressed trajectory. */
62 TEST_P(CompressedXOutputTest, ExitsNormally)
64 std::string mdpFile("cutoff-scheme = Group\n"
66 "nstxout-compressed = 1\n");
67 mdpFile += GetParam();
68 useStringAsMdpFile(mdpFile.c_str());
69 useTopGroAndNdxFromDatabase("spc2");
70 ASSERT_EQ(0, callGrompp());
72 reducedPrecisionTrajectoryFileName = fileManager_.getTemporaryFilePath(".xtc");
73 ASSERT_EQ(0, callMdrun());
75 ::gmx::test::CommandLine checkCaller;
76 checkCaller.append("check");
77 checkCaller.addOption("-f", reducedPrecisionTrajectoryFileName);
78 ASSERT_EQ(0, gmx_check(checkCaller.argc(), checkCaller.argv()));
81 #ifdef __INTEL_COMPILER
82 /* If we learn why this invocation triggers the "declared but not
83 referenced" warning with ICC 12 on Windows and the case in
84 gromacs/fft/tests/fft.cpp does not, then we can consider a more
85 general solution. The pragma works also on MSVC, but so far is not
87 #pragma warning( disable : 177 )
90 INSTANTIATE_TEST_CASE_P(WithDifferentMdpOptions, CompressedXOutputTest,
92 ( // Test writing the whole system via
93 // the default behaviour
96 // Test writing the whole system
98 "compressed-x-grps = System\n",
100 // Test writing only part of the system.
101 // It would be nice to check that this test
102 // writes 3 atoms and the others write 6, but
103 // that's not yet easy.
104 "compressed-x-grps = SecondWaterMolecule\n"