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openmm / openmm-plumed

OpenMM plugin to interface with PLUMED
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Plumed api version mismatch #4

Closed mpharrigan closed 7 years ago

mpharrigan commented 7 years ago

With plumed 2.2.3

I get Exception: Unsupported API version. Upgrade PLUMED to a newer version.

The dev docs say it should be "2" https://plumed.github.io/doc-v2.3/developer-doc/html/_how_to_plumed_your_m_d.html

But the check is for 4 https://github.com/peastman/openmm-plumed/blob/master/platforms/cuda/src/CudaPlumedKernels.cpp#L139

mpharrigan commented 7 years ago

Looks like the docs are wrong. The latest released version sets it to 3, the master branch is set to 4. Trying it now with master branch of plumed

mpharrigan commented 7 years ago

It works with the master of plumed. Maybe we can document this somewhere

peastman commented 7 years ago

It's been almost a year since I wrote that code. Has there really not been a Plumed release since then?

mpharrigan commented 7 years ago

On Jun 30, 2016, they released 2.2.3 and 2.3b

2.2.3, api version 3 https://github.com/plumed/plumed2/blob/v2.2.3/src/core/PlumedMain.cpp#L307

2.3b, api version 4 https://github.com/plumed/plumed2/blob/v2.3b/src/core/PlumedMain.cpp#L278

So it's released, but in beta

Release 2.3b is a brand new release that contains a number of new features. Notice that some of the changes required us to modify the syntax of some command. See: http://goo.gl/iJl9BG This release is still in beta, but we invite users to try it and provide feedbacks.