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= BDF Benchmark= <<TableOfContents(4)>>

These data are used to assess BDF and also benchmark CPU and compilers.

== Molecules and basis sets used in benchmarks ==
 ||Molecule ||Basis sets ||Natoms ||NBFs ||
 ||DNA-1 ||cc-pVDZ ||120 ||2100 ||



== Benchmark platforms ==

|| No.  || Hostname            || Location || Name || OS                 || CPU/MEM         || NCOREs ||  Compiler and flag ||
||PL1  ||AMD-Radoen VII   ||NWU        || BSuo  ||Cent OS 7.6  || i9-9900K/64G || 8              || ifort, gcc, FFLAG=-O2, CFLAG= -O2 ||




== SCF energy and gradient : ERI and Schwarz prescreeening ==
Molecule 1 :  DNA-1, cc-pvDZ, the basis sets are optimized for general contraction. Molecule 2 : BLC monomer, def2-SVP,  the basis sets are optimized for general contraction. Molecule 2 : BLC monomer, def2-SVP,  the basis sets are optimized for general contraction.