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A..2.6 Tuning

MOLPRO can be tuned for a particular system by running in the root directory the command

make tuning

This job automatically determines a number of tuning parameters and appends these to the file bin/molpro. Using these parameters, MOLPRO will select the best BLAS routines depending on the problem size. This job should run on an empty system. It may typically take 10 minutes, depending on the processor speed, and you should wait for completion of this run before doing the next steps.



molpro@molpro.net 2018-08-14