ICODE-ADC/lammps
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can only use and test fdotr with USER-INTEL when newton pair is off

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This commit is contained in:
Axel Kohlmeyer
2021-04-27 09:53:20 -04:00
parent 081b322ecd
commit 9a09378136
1 changed files with 4 additions and 2 deletions
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6
unittest/force-styles/test_pair_style.cpp
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@ -158,7 +158,7 @@ void run_lammps(LAMMPS *lmp)
command("run 4 post no"); command("run 4 post no");
} }
void restart_lammps(LAMMPS *lmp, const TestConfig &cfg, bool nofdotr = false) void restart_lammps(LAMMPS *lmp, const TestConfig &cfg, bool nofdotr = false, bool newton = true)
{ {
// utility lambda to improve readability // utility lambda to improve readability
auto command = [&](const std::string &line) { auto command = [&](const std::string &line) {
@ -166,6 +166,8 @@ void restart_lammps(LAMMPS *lmp, const TestConfig &cfg, bool nofdotr = false)
}; };
command("clear"); command("clear");
if (newton) 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) {
@ -1085,7 +1087,7 @@ TEST(PairStyle, intel)
if (print_stats) std::cerr << "run_energy stats:" << stats << std::endl; if (print_stats) std::cerr << "run_energy stats:" << stats << std::endl;
if (!verbose) ::testing::internal::CaptureStdout(); if (!verbose) ::testing::internal::CaptureStdout();
restart_lammps(lmp, test_config, true); 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;