Diff for "bdfbenchmark"

Differences between revisions 18 and 19

= 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

-  ⇤ ← Revision 18 as of 2019-09-14 05:29:36 → 
  Size: 1054
  Editor: bsuo
  Comment:
+   ← Revision 19 as of 2019-09-14 05:30:31 → ⇥
  Size: 1035
  Editor: bsuo
  Comment:
-Deletions are marked like this.
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-||<rowspan=2>  Node01 || SCF ENE ||SCF Grad ||SCF ENE ||SCF Grad || <rowspan=2> ifort 17.0.5 20170817, -O2,||
                                          ||   10.0        ||  10.0        || 10.0        || 10.0          ||   gcc  4.8.5,  -O2                                         ||
+||<rowspan=2>           || SCF ENE ||SCF Grad ||SCF ENE ||SCF Grad || <rowspan=2> ifort 17.0.5,  -O2,||
||                Node01     ||   10.0        ||  10.0        || 10.0        || 10.0          ||   gcc  4.8.5,  -O2                                         ||

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