marbl-ecosys / MARBL

Marine Biogeochemistry Library
https://marbl-ecosys.github.io
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Add derecho support #436

Closed mnlevy1981 closed 1 year ago

mnlevy1981 commented 1 year ago

Adds support for the nvhpc compiler and then recognizes derecho as a known machine (with intel, cray, nvhpc, and gnu compilers).

I should note that the netCDF Comparison (1 inst vs baseline) test fails on derecho for two reasons:

  1. some values of fields that we know are very small went from truly being 0 to being round-off level
  2. the threshold for acceptable relative errors in non-zero fields is exceeded

Both of these are addressed in #430 so I don't want to duplicate the fixes on this branch:

  1. Instead of flagging values where baseline = 0 and new value is non-zero, we flag values where baseline = 0 and |new value| exceeds something like 1e-16
  2. We have a different algorithm for computing relative error (denominator is the max over a three-point stencil), and have also adjusted the threshold. If this comparison still fails with the updated netcdf_comparison script, I'll increase the threshold accordingly