Hi, the GROMACS software package is looking into whether we should use HDF5 to store trajectories (=atomic coordinate time series). The issue is that we need to support parallel compression. The FAQ explains that parallel compression is not supported and also why.
For us it would be sufficient to write all data of a chuck at once and thus the size of the chunk would be known. Also it would be sufficient that a single chunk would be written in serial - it would be only required that different chunks could be written in parallel. Thus as far as I can see the problem described in the FAQ wouldn't apply for our restricted conditions. The FAQ only explains that in general parallel compressed writing isn't supported. Is it somehow possible to have parallel compressed writing under these more restricted conditions? If it is currently not supported, is support for it planned? Or how difficult would it be to add support for it? Is it somehow possible to workaround the limitation without having to modify HDF5 itself? Thanks Roland -- ORNL/UT Center for Molecular Biophysics cmb.ornl.gov 865-241-1537, ORNL PO BOX 2008 MS6309
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