#acl SomeUser:read,write
##master-page:HelpTemplate
##master-date:Unknown-Date
#format wiki
#language en
= 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 ||  
|| Node01  ||AMD-Radoen VII   ||NWU        || BSuo  ||Cent OS 7.6  || i9-9900K/64G || 8              ||




== SCF energy and gradient : ERI and Schwarz prescreeening ==

|| Platform || DNA-1 .           |||| Taxol |||| Compiler and flags ||
|| Node01  || . SCF ENE ||   SCF Grad ||  SCF ENE || SCF Grad || ifort, -O2, gcc -O2 ||