Skip to content

Commit

Permalink
Fix FDA regression test for none simd
Browse files Browse the repository at this point in the history 
Macro string comparison isn't working. Therefore, we use a STL structure
with simdCompiled() to build the list of test cases.
  • Loading branch information
@BerndDoser
BerndDoser committed Sep 13, 2019
1 parent 78b3449 commit f4931f7
Showing 1 changed file with 46 additions and 39 deletions.
85 changes: 46 additions & 39 deletions src/programs/mdrun/fda_tests/FDATest.cpp
View file
Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@
#include <vector>
#include <gtest/gtest.h>

#include "config.h"
#include "gromacs/simd/support.h"
#include "gromacs/fda/PairwiseForces.h"
#include "gromacs/options/filenameoption.h"
#include "gromacs/utility/futil.h"
Expand Down Expand Up @@ -136,44 +136,51 @@ TEST_P(FDATest, Basic)
}
}

INSTANTIATE_TEST_CASE_P(AllFDATests, FDATest, ::testing::Values(
#if GMX_SIMD_REFERENCE
TestDataStructure("alagly_pairwise_forces_scalar", "pfa", "pfr"),
TestDataStructure("alagly_pairwise_forces_scalar_atom_based", "pfa", ""),
TestDataStructure("alagly_pairwise_forces_scalar_no_residue_based", "pfa", ""),
TestDataStructure("alagly_pairwise_forces_scalar_detailed_no_residue_based", "pfa", ""),
TestDataStructure("alagly_pairwise_forces_vector", "pfa", "pfr", "traj.trr", true),
TestDataStructure("alagly_punctual_stress", "psa", "psr"),
//TestDataStructure("alagly_punctual_stress_binary", "psa", "psr"),
TestDataStructure("alagly_punctual_stress_normalized", "psa", "psr"),
TestDataStructure("alagly_punctual_stress_normalized_renumbered", "psa", "psr"),
TestDataStructure("alagly_pairwise_forces_scalar_detailed_nonbonded", "pfa", "pfr"),
TestDataStructure("alagly_pairwise_forces_vector_detailed_nonbonded", "pfa", "pfr", "traj.trr", true),
TestDataStructure("alagly_group_excl", "pfa", "pfr"),
TestDataStructure("alagly_group_excl_uncomplete_cgs", "pfa", "pfr"),
TestDataStructure("alagly_pairwise_forces_scalar_all", "pfa", "pfr"),
TestDataStructure("glycine_trimer_group_excl1", "pfa", "pfr"),
TestDataStructure("glycine_trimer_group_excl2", "pfa", "pfr"),
TestDataStructure("glycine_trimer_group_excl3", "pfa", "pfr"),
TestDataStructure("glycine_trimer_group_excl4", "pfa", "pfr"),
TestDataStructure("glycine_trimer_group_excl5", "pfa", "pfr"),
TestDataStructure("glycine_trimer_group_excl6", "pfa", "pfr"),
TestDataStructure("glycine_trimer_group_bonded_excl1", "pfa", "pfr"),
TestDataStructure("glycine_trimer_virial_stress", "vsa", ""),
TestDataStructure("glycine_trimer_virial_stress_von_mises", "vma", ""),
TestDataStructure("alagly_deprecated_keywords", "pfa", "pfr", "", false, true),
TestDataStructure("alagly_unknown_option", "pfa", "pfr", "", false, true),
TestDataStructure("vwf_a2_domain_nframes1_pairwise_forces_scalar", "pfa", "pfr", "traj.xtc"),
TestDataStructure("vwf_a2_domain_nframes1_punctual_stress", "psa", "psr", "traj.xtc"),
TestDataStructure("vwf_a2_domain_nframes10_pairwise_forces_scalar", "pfa", "pfr", "traj.xtc"),
TestDataStructure("vwf_a2_domain_nframes10_punctual_stress", "psa", "psr", "traj.xtc"),
#endif
TestDataStructure("alagly_verlet_summed_scalar", "pfa", "pfr"),
TestDataStructure("alagly_verlet_pbc_summed_scalar", "pfa", "pfr"),
TestDataStructure("alagly_verlet_pbc_summed_scalar_binary", "pfa", "pfr", "traj.trr", false, false),
TestDataStructure("cmap_ignore_missing_potentials", "", "psr", "traj.xtc"),
TestDataStructure("cmap", "", "psr", "traj.xtc", false, true)
));
std::vector<TestDataStructure> get_tests()
{
std::vector<TestDataStructure> tests {
{"alagly_verlet_summed_scalar", "pfa", "pfr"},
{"alagly_verlet_pbc_summed_scalar", "pfa", "pfr"},
{"alagly_verlet_pbc_summed_scalar_binary", "pfa", "pfr", "traj.trr", false, false},
{"cmap_ignore_missing_potentials", "", "psr", "traj.xtc"},
{"cmap", "", "psr", "traj.xtc", false, true}
};

if (simdCompiled() == SimdType::None) {
tests.push_back({"alagly_pairwise_forces_scalar", "pfa", "pfr"});
tests.push_back({"alagly_pairwise_forces_scalar_atom_based", "pfa", ""});
tests.push_back({"alagly_pairwise_forces_scalar_no_residue_based", "pfa", ""});
tests.push_back({"alagly_pairwise_forces_scalar_detailed_no_residue_based", "pfa", ""});
tests.push_back({"alagly_pairwise_forces_vector", "pfa", "pfr", "traj.trr", true});
tests.push_back({"alagly_punctual_stress", "psa", "psr"});
tests.push_back({"alagly_punctual_stress_normalized", "psa", "psr"});
tests.push_back({"alagly_punctual_stress_normalized_renumbered", "psa", "psr"});
tests.push_back({"alagly_pairwise_forces_scalar_detailed_nonbonded", "pfa", "pfr"});
tests.push_back({"alagly_pairwise_forces_vector_detailed_nonbonded", "pfa", "pfr", "traj.trr", true});
tests.push_back({"alagly_group_excl", "pfa", "pfr"});
tests.push_back({"alagly_group_excl_uncomplete_cgs", "pfa", "pfr"});
tests.push_back({"alagly_pairwise_forces_scalar_all", "pfa", "pfr"});
tests.push_back({"glycine_trimer_group_excl1", "pfa", "pfr"});
tests.push_back({"glycine_trimer_group_excl2", "pfa", "pfr"});
tests.push_back({"glycine_trimer_group_excl3", "pfa", "pfr"});
tests.push_back({"glycine_trimer_group_excl4", "pfa", "pfr"});
tests.push_back({"glycine_trimer_group_excl5", "pfa", "pfr"});
tests.push_back({"glycine_trimer_group_excl6", "pfa", "pfr"});
tests.push_back({"glycine_trimer_group_bonded_excl1", "pfa", "pfr"});
tests.push_back({"glycine_trimer_virial_stress", "vsa", ""});
tests.push_back({"glycine_trimer_virial_stress_von_mises", "vma", ""});
tests.push_back({"alagly_deprecated_keywords", "pfa", "pfr", "", false, true});
tests.push_back({"alagly_unknown_option", "pfa", "pfr", "", false, true});
tests.push_back({"vwf_a2_domain_nframes1_pairwise_forces_scalar", "pfa", "pfr", "traj.xtc"});
tests.push_back({"vwf_a2_domain_nframes1_punctual_stress", "psa", "psr", "traj.xtc"});
tests.push_back({"vwf_a2_domain_nframes10_pairwise_forces_scalar", "pfa", "pfr", "traj.xtc"});
tests.push_back({"vwf_a2_domain_nframes10_punctual_stress", "psa", "psr", "traj.xtc"});
}

return tests;
}

INSTANTIATE_TEST_CASE_P(AllFDATests, FDATest, ::testing::ValuesIn(get_tests()));

} // namespace
} // namespace test
Expand Down

0 comments on commit f4931f7

Please sign in to comment.