Diff for "bdfbenchmark"

Differences between revisions 20 and 21

= BDF Benchmark=

Contents

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

Molecules and basis sets used in benchmarks

No.	Hostname	Location	Name	OS	CPU/MEM	NCOREs
Node01	AMD-Radoen VII	NWU	BSuo	Cent OS 7.6	i9-9900K/64G	8

Platform	DNA-1 .		Taxol		Compiler and flags
Node01	SCF ENE	SCF Grad	SCF ENE	SCF Grad	<2> ifort 17.0.5, -O2,

||10 ||10.0 ||10.0 ||10.0 ||gcc 4.8.5, -O2 ||

-  ⇤ ← Revision 20 as of 2019-09-14 05:32:05 → 
  Size: 874
  Editor: bsuo
  Comment:
+   ← Revision 21 as of 2019-09-14 05:33:33 → ⇥
  Size: 903
  Editor: bsuo
  Comment:
-Deletions are marked like this.
+Additions are marked like this.
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-||<|2>Node01||SCF ENE ||SCF Grad ||SCF ENE ||SCF Grad || ifort 17.0.5,  -O2, ||
||10 ||10.0 ||10.0 ||10.0 ||gcc 4.8.5, -O2 || ||
+||<style="text-align:center" |2>Node01 ||SCF ENE ||SCF Grad ||SCF ENE ||SCF Grad || <2> ifort 17.0.5,  -O2, ||
||10 ||10.0 ||10.0 ||10.0 ||gcc 4.8.5, -O2 ||

Molecule	Basis sets	Natoms	NBFs
DNA-1	cc-pVDZ	120	2100