Diff for "bdfbenchmark"

Differences between revisions 49 and 52 (spanning 3 versions)

= BDF Benchmark=

Contents

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

-  ⇤ ← Revision 49 as of 2019-09-14 10:53:34 → 
  Size: 1042
  Editor: bsuo
  Comment:
+   ← Revision 52 as of 2019-09-14 14:58:14 → ⇥
  Size: 1392
  Editor: bsuo
  Comment:
-Deletions are marked like this.
+Additions are marked like this.
 Line 12:
-||DNA-1 ||cc-pVDZ ||120 ||2100 ||
+||DNA-1 ||cc-pVDZ || 62 || 625 ||
 Line 16:
-||No. ||Hostname ||Location ||Name ||OS ||CPU/MEM ||NCOREs ||
||Node01 ||AMD-Radoen VII ||NWU ||BSuo ||Cent OS 7.6 ||i9-9900K/64G ||8 ||
+||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 ||
-Line 25:
+Line 26:
-||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 ||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 ||