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must skip nofdotr test for sw since that requires newton on with /intel

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This commit is contained in:
Axel Kohlmeyer
2021-04-27 12:33:33 -04:00
parent 9a09378136
commit 3a6e27e0e8
1 changed files with 36 additions and 31 deletions
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13
unittest/force-styles/test_pair_style.cpp
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@ -166,8 +166,10 @@ void restart_lammps(LAMMPS *lmp, const TestConfig &cfg, bool nofdotr = false, bo
}; };
command("clear"); command("clear");
if (newton) command("newton on"); if (newton)
else command("newton off"); command("newton on");
else
command("newton off");
command("read_restart " + cfg.basename + ".restart"); command("read_restart " + cfg.basename + ".restart");
if (!lmp->force->pair) { if (!lmp->force->pair) {
@ -1086,10 +1088,13 @@ TEST(PairStyle, intel)
EXPECT_FP_LE_WITH_EPS((pair->eng_vdwl + pair->eng_coul), energy, epsilon); EXPECT_FP_LE_WITH_EPS((pair->eng_vdwl + pair->eng_coul), energy, epsilon);
if (print_stats) std::cerr << "run_energy stats:" << stats << std::endl; if (print_stats) std::cerr << "run_energy stats:" << stats << std::endl;
// pair style sw requires newton on, but that also requires fdotr for /intel
std::cerr << "pair style : " << test_config.pair_style << "\n";
if (test_config.pair_style != "sw") {
if (!verbose) ::testing::internal::CaptureStdout(); if (!verbose) ::testing::internal::CaptureStdout();
restart_lammps(lmp, test_config, true, false); restart_lammps(lmp, test_config, true, false);
if (!verbose) ::testing::internal::GetCapturedStdout(); if (!verbose) ::testing::internal::GetCapturedStdout();
f = lmp->atom->f; f = lmp->atom->f;
tag = lmp->atom->tag; tag = lmp->atom->tag;
stats.reset(); stats.reset();
@ -1116,7 +1121,7 @@ TEST(PairStyle, intel)
EXPECT_FP_LE_WITH_EPS(pair->eng_vdwl, test_config.init_vdwl, 5 * epsilon); EXPECT_FP_LE_WITH_EPS(pair->eng_vdwl, test_config.init_vdwl, 5 * epsilon);
EXPECT_FP_LE_WITH_EPS(pair->eng_coul, test_config.init_coul, 5 * epsilon); EXPECT_FP_LE_WITH_EPS(pair->eng_coul, test_config.init_coul, 5 * epsilon);
if (print_stats) std::cerr << "nofdotr_energy stats:" << stats << std::endl; if (print_stats) std::cerr << "nofdotr_energy stats:" << stats << std::endl;
}
if (!verbose) ::testing::internal::CaptureStdout(); if (!verbose) ::testing::internal::CaptureStdout();
cleanup_lammps(lmp, test_config); cleanup_lammps(lmp, test_config);
if (!verbose) ::testing::internal::GetCapturedStdout(); if (!verbose) ::testing::internal::GetCapturedStdout();