Gromacs
2020.1
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A basic PME runner.
Public Types | |
using | RunModesList = std::map< std::string, std::vector< const char * >> |
Convenience typedef. | |
Public Member Functions | |
void | runTest (const RunModesList &runModes) |
Runs the test with the given inputs. | |
Static Public Member Functions | |
static void | SetUpTestCase () |
Before any test is run, work out whether any compatible GPUs exist. | |
Static Public Attributes | |
static bool | s_hasCompatibleGpus = false |
Store whether any compatible GPUs exist. | |
Additional Inherited Members | |
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TestFileManager | fileManager_ |
Manages temporary files during the test. | |
SimulationRunner | runner_ |
Helper object to manage the preparation for and call of mdrun. | |