#acl SomeUser:read,write ##master-page:HelpTemplate ##master-date:Unknown-Date #format wiki #language en = BDF Benchmark= <> 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 == BDF VERSION: commit 6c91f6de3683c8061a9d32a7c638e83a7fb727e0 Author: Bingbing Suo < bsuo@nwu.edu.cn > Date: Sat Sep 14 11:15:03 2019 +0800 ||Platform ||NCores ||||DNA-1 . ||||Taxol ||Fortran ||C || ||SCF Ene. ||SCF Grad. ||SCF Ene. ||SCF Grad. || ||Node01 ||8 ||226.9 ||66.9 ||10.0 ||10.0 ||ifort 17.0.5, -O2 ||gcc 4.8.5, -O2 ||