Closed coltonbh closed 2 years ago
@loriab an additional harness for QCEngine
. Not trying to create an absurd proliferation of TeraChem harnesses, but our interfaces to the program are evolving and I want to keep QCEngine
up to date for use in our cloud compute infrastructure. I don't anticipate adding other harnesses ;P
…de effectively with TeraChemFrontEndHarness.
Description
TeraChem's server mode has been extended to support file input/output alongside its protocol buffer interface. This allows more expressive put/get of large files to/from TeraChem via its API. The
TeraChemFrontEndHarness
captures this new functionality and will allow TeraChem to meet additional QCSchema specs (like returning stdout/stderror files, wavefunction data, etc.).Since the
TeraChemFrontEndHarness
is an extension of theTeraChemPBSHarness
the latter was refactored to more effectively reuse the shared code.Changelog description
Added
TeraChemFrontEndHarness
.Status