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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 || 62 || 625 ||


== Benchmark platforms ==
||No. ||Hostname ||Location ||Name ||OS ||CPU/MEM ||NCOREs || Mathlib ||
||Node01 ||AMD-Radoen VII ||NWU ||BSuo ||Cent OS 7.6 ||i9-9900K/64G ||8 || MKL ||
||Node02 || Bsuo-Mac           || NWU|| BSuo || MacOS 14 || i7-/16G || 4 | . | Netlib ||


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


||<style="text-align:center" |2>Platform ||<style="text-align:center" |2>NCores ||||<style="text-align:center">DNA-1 . ||||<style="text-align:center">Taxol ||<style="text-align:center" |2>Fortran ||<style="text-align:center" |2>C ||<style="text-align:center" |2> BDF Version ||
||SCF Ene. ||SCF Grad. ||SCF Ene. ||SCF Grad. ||
||Node01 ||8 ||212.9  ||59.3 ||10.0 ||10.0 ||ifort 17.0.5,  -O2 ||gcc 4.8.5, -O2  || 985098074af19ec 2019/09/14 ||
||Node01 ||4 ||333.9 ||87.9  ||10.0 ||10.0 ||ifort 17.0.5,  -O2 ||gcc 4.8.5, -O2  || 985098074af19ec 2019/09/14 ||
||Node02 ||4 ||977.7 ||276.8  ||10.0 ||10.0 ||gfortran 7.4.0,  -Ofast ||gcc 7.4.0, -Ofast  ||985098074af19ec 2019/09/14 ||