TURBOMOLE Users Forum
TURBOMOLE Modules => Aoforce and Numforce => Topic started by: jaime on July 02, 2008, 12:01:49 PM
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I'm running aoforce calculations in Turbomole 5.9.1 and I want to specify where the scratch files are written (i.e., on the local disk rather where the calculation is being performed rather than on the master node). I've found a few keywords that do part of the job - like $forcepath and $scratch files, but both of these only seem to work for a few of the files generated. Namely, the large files dS, dF, g_sxi_a, rhs_a, sxi_a, etc are still in the working directory on the master node. $tmpdir seems to have no effect, or I'm using it wrong. Does anyone have any suggestions? Thanks!
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Hello!
Can't you just copy all the files to the local scratch disk and start aoforce there? And for example just pipe the output to the global disk? Something like:
cp * /scratch/
cd scratch
mkdir -p /global/directory/of/choice/results
aoforce > /global/directory/of/choice/results/aoforce.out
cp * /global/directory/of/choice/results
Have a nice day,
Mikael J.
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To copy all input files to a local /scratch (or similar) file system is for all sequential calculations the recommended way to run jobs if your are working on a cluster or a similar environment where you have a large and fast /scratch file system but a slower (and maybe limited) /home file system.
Christof