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Add option to cache integer data sets to disk #641
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…, lets us introduce transparent disk caching of data sets.
…e tricky to do with disk caching.
…caching to work properly
… read, allocate integer data set.
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I think it works for Travis as well (see here). At least it seems to be working in this case. |
I stand corrected. :) Thanks |
…Bytes instead of the two SizeInBytes routine. Name is better, and size estimation is only for special cases.
…duplicate routines.
I think this PR breaks pytraj build ( error in dataset integer). |
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This PR is aimed at reducing data set memory usage in certain cases. The first data set to be used this way for testing is
DataSet_integer
, for use with thehbond
/lifetime
commands (addresses a user issue on Amber mailing list). Adds new command:When
usediskcache on
is specified, whenever an integer data set is allocated by the master DataSetList, it is cached to disk via a NetCDF file instead. This uses less memory at the expense of speed - seems the code is about 1-2x orders of magnitude slower when caching to disk. This will be a work in progress while I try to improve the speed somewhat.A test is added for cached data sets.
This PR also adds a new keyword aimed at reducing memory usage in another way: for 1D standard data file reads you can use
onlycols
to only read certain columns from the file:For example:
Will read columns 1, 3, 4, and 5, using column 1 as the index column. Note that if
index
is used in conjuction withonlycols
, the index column must be one of the columns specified.