em64t and $parallel_platform

[antti_karttunen]

I mentioned this issue in a post made in ricc2 subforum, but maybe its better to report it here, too.

I noticed that in Turbomole 5.9 the $parallel_platform keyword is always set to "cluster" when running parallel calculations with em64t architechture. Would "$parallel_platform MPP" be more appropriate, considering that mpirun_scripts use MPP for all the other x86 and x86-64 based architechtures?

[christof.haettig]

these keywords have (to the best of my knowledge) only an influence on the diagonalization in SCF and DFT calculations. They have no effect on ricc2 runs.

Christof

[uwe]

Hi,

there was a line missing in the scripts that prepare the parallel input. $parallel_platform only controls the number of CPUs used in parallel linear algebra steps, and switches on ScaLAPACK when choosing SMP. Patch files and a new package for Linux/PC will be available soon.

Uwe