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Hello, I'm trying to run the C2H6 enhanced sampling example, however PLUMED gave me an error of "PLUMED has been compiled without MPI". I'm using version 2.0.3 installed with conda (and 2.0.0 has the same issue). Please find files for reproducing the error attached. Any suggestion would be greatly appreciated! Thanks,
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No such error when deepmd-kit is installed from off-line package. So something might be wrong with the conda package. |
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No such error when deepmd-kit is installed from off-line package. So something might be wrong with the conda package.