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Revision 13 as of 2019-09-14 05:21:47

location: bdfbenchmark

= BDF Benchmark=

Contents

  1. Molecules and basis sets used in benchmarks
  2. Benchmark platforms
  3. SCF energy and gradient : ERI and Schwarz prescreeening

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

Molecules and basis sets used in benchmarks

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