aoforce scratch files

[jaime]

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!

[mpjohans]

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.

[christof.haettig]

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