Dear Forum,
While trying to run a b3-lyp calculation using ridft, I ran into the following problem:
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ERROR: HF-exchange within ridft is not yet implemented in parallel mode.
ridft ended abnormally
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I tried mp parallelization, i.e. added to my batch job script the line:
export PARA_ARCH=SMP
but the scf iteration is, even with 12 threads, painstakingly slow.
Are there any plans to parallelize ridft for hybrid functionals someday?
Regards,
Sampsa