The FabSCEMa tool in combination with an existing platform for verification, validation, and uncertainty quantification [SEAVEA toolkit (https://www.seavea-project.org/seaveatk/)] offers a scientific simulation environment and data processing workflows that enable the execution of single and ensemble simulations. This Fabsim-plugin also supports the execution of remotely or locally submitted jobs through the plugin and helps the experts to do several specific annalistic tasks on a local machine or on a cluster or supercomputing platform within the EasyVVUQ and EasySurrogate architectures. It is a fully automated computational tool for the study of the uncertainty in a computational model of a heterogeneous multi-scale atomistic continuum coupling system, a publicly available open-source code SCEMa (https://GitHub.com/UCL-CCS/SCEMa).
For the full FabSCEMa documentation, please visit https://fabscema.readthedocs.io
These examples assume that you have been able to run the basic FabSim examples described in the other documentation files, and that you have built and configured SCEMa (https://github.com/UCL-CCS/SCEMa) on the target machine.
Two minimal examples of SCEMa simulation are provided in config_files/SCEMa_test1 and config_files/SCEMa_test2 to execute these examples type:
fabsim localhost SCEMa:SCEMa_test1
fabsim localhost SCEMa:SCEMa_test2
These examples assume that you have been able to run the basic FabSim examples described in the other documentation files, and that you have built and configured SCEMa (https://github.com/UCL-CCS/SCEMa) on the target machine.
To run type:
fabsim localhost SCEMa_ensemble:SCEMa_ensemble_example1
This example runs 3 simulations with different input files, which vary the simulation temperature, using the same topology file.
This example runs 6 simulations with different input files, which vary the simulation timestep, using the same topology file.
To run type:
fabsim localhost SCEMa_ensemble:SCEMa_ensemble_example2
After updating the following files with your credentials
-FabSim3/deploy/machines_user.yml
-FabSim3/deploy/machines.yml
-FabSim3/plugins/FabSCEMa/machines_FabSCEMa_user.yml
run the following:
- fabsim localhost SCEMa_init_run_analyse_campaign_local:fabSCEMa_easyvvuq_InRuAn1_QCGPJ
- fabsim <remote machine name> SCEMa_init_run_analyse_campaign_remote:fabSCEMa_easyvvuq_InRuAn1_QCGPJ
and copy the results back to your local machine with
- fabsim localhost fetch_results
- fabsim <remote machine name> fetch_results
After updating the following files with your credentials
-FabSim3/deploy/machines_user.yml
-FabSim3/deploy/machines.yml
-FabSim3/plugins/FabSCEMa/machines_FabSCEMa_user.yml
run the following:
- fabsim localhost SCEMa_init_run_analyse_campaign_local:fabSCEMa_easyvvuq_easysurrogate_InRuAn1_DAS_QCGPJ
- fabsim <remote machine name> SCEMa_init_run_analyse_campaign_remote:fabSCEMa_easyvvuq_easysurrogate_InRuAn1_DAS_QCGPJ
- fabsim localhost SCEMa_init_run_analyse_campaign_local:fabSCEMa_easyvvuq_easysurrogate_InRuAn2_DAS_QCGPJ
- fabsim <remote machine name> SCEMa_init_run_analyse_campaign_remote:fabSCEMa_easyvvuq_easysurrogate_InRuAn2_DAS_QCGPJ
and copy the results back to your local machine with
- fabsim localhost fetch_results
- fabsim <remote machine name> fetch_results
