From NWChem
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| 10:36:47 PM PST - Tue, Jan 16th 2018 |
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Hi
I would like to compile NWChem 6.8 on a KNL system which is interconnected with Infiniband (instead of Omni Path), and the system is cache mode by default.
Is there any side-effect ( in addition to the CCSD(T) which is not recommended for cache mode) if I setUSE_OPENMP=1 USE_F90_ALLIOCATEABLE=T and USE_FASTMEM=F on KNL system?
In addition, will you expect significant difference in performance if AMRCI-MPI (with casper) is used instead of MPI-PR?
Thank You!
Regards,
Dominic
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