Included with Socorro are a large number of different simulations along with the appropriate output. These simulations are all contained in the testdata directory. The easiest way to use them is by changing into the run directory and using the linktest command. This command will display a list of all available simulations. To use it simply add the simulation name as an option to linktest. For example, linktest si_ncp. It will then soft link the directory from testdata into ‘run/data and also copy a few simulation files over. Because the data is soft link any changes made to it also change the copy in the testdata directory.
To run the test in /socorro/testdata/si_ncp:
- # cd run# ./linktest si_ncp# ./socorro
Simulation | Description |
---|---|
alas_ncp | AlAs |
al_ncp | Al |
aln_zinc_blende_ncp | fix me |
caf2_paw | fix me |
diamond_paw | fix me |
fe_paw | fix me |
h2 | fix me |
h2o | fix me |
li_paw | fix me |
si16_dimer_sd | fix me |
si16_neb_qm | fix me |
si256_ncp | fix me |
si64_lmcc_ncp | fix me |
si64_ncp | fix me |
si_cubic_md_ncp | fix me |
si_cubic_ncp | fix me |
si_cubic_relax_ncp | fix me |
si_ncp | fix me |
si_paw | fix me |
si_paw_pbe | fix me |
si_paw_relax | fix me |
si_quench_ncp | fix me |
si_relax_ncp | fix me |
si_tddft_ncp | fix me |
si_wurtzite_cg_ncp | fix me |
si_wurtzite_ncp | fix me |
tio_ncp | fix me |
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