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Code Block |
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ccsd
nodisk # regenerate integrals every iteration
# useful if the filesystem is slow relative to the CPU
end
set ccsdt:memlimit 8000 # this allows local caching
# of communication-intensive intermediates
set ccsd:use_ccsd_omp T # enables OpenMP in CCSD - not likely to pay off
set ccsd:use_trpdrv_omp T # enables OpenMP in (T) - always pays off
set ccsd:use_trpdrv_omp T # enables OpenMP in (T) - always pays off
set ccsd:use_trpdrv_openacc T # enables OpenACC in (T) - VERY EXPERIMENTAL!!! |
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