Parallel execution strategies
Asked by
JANARDHAN H L
Dear all,
I am using siesta 4.0 for calculating zeolites properties with pbc. Zeolite unit-cell consists of 288 atoms.
I tried to run in parallel upto 32 cores. Speed of calculation dis not improve considerably.
By using K point parallelization along with the number of ProcessorY increased the speeds considerably.
However, the observed increased in speed plateaus for 4 ProcessorY and 16 cores. with further increase in cores or process there is no improvement but marginal decrease.
I believe there would be a better parallel strategies for this problem.
Kindly help me to effectively use the parallel strategies of siesta.
Thanks and regards
Janardhan
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- Siesta Edit question
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