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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.