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Case sensitive modules #61

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brisvag opened this issue May 16, 2018 · 2 comments
Closed

Case sensitive modules #61

brisvag opened this issue May 16, 2018 · 2 comments

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@brisvag
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brisvag commented May 16, 2018 •
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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) expected gromacs/2016.1-foss-2016a-CUDA-7.5.18-avx2-hybrid.

mdbenchmark version 1.3.0
kain88-de added a commit that referenced this issue May 16, 2018
@kain88-de
be case insensitive for module names
5067952 
fixes #61
@kain88-de kain88-de mentioned this issue May 16, 2018
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kain88-de added a commit that referenced this issue May 16, 2018
@kain88-de
be case insensitive for module names
e41673f 
detect_md_engine is now case insensitive

fixes #61
kain88-de added a commit that referenced this issue May 16, 2018
@kain88-de
be case insensitive for module names
4082190 
detect_md_engine is now case insensitive

fixes #61
@kain88-de
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Thanks for notifying us. A fix should be in the master branch soon.

kain88-de added a commit that referenced this issue May 16, 2018
@kain88-de
be case insensitive for module names
076626c 
detect_md_engine is now case insensitive

fixes #61
@mimischi
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@brisvag Version 1.3.1 has fixed this and it's out now on PyPi and conda-forge!

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@mimischi @kain88-de @brisvag