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Case sensitive modules #61
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kain88-de
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detect_md_engine is now case insensitive fixes #61
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detect_md_engine is now case insensitive fixes #61
Thanks for notifying us. A fix should be in the master branch soon. |
kain88-de
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detect_md_engine is now case insensitive fixes #61
@brisvag Version 1.3.1 has fixed this and it's out now on PyPi and conda-forge! |
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When trying to generate the benchmark for GROMACS, I get the following error:
ERROR There is currently no support for 'GROMACS'. Supported MD engines are: gromacs, namd.
I suspect the problem is simply the fact that on this specific cluster the gromacs modules are in capitals:
e.g.
GROMACS/2016.1-foss-2016a-CUDA-7.5.18-avx2-hybrid
instead of the (likely) expectedgromacs/2016.1-foss-2016a-CUDA-7.5.18-avx2-hybrid
.mdbenchmark version 1.3.0
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