Diff for "bdfbenchmark"

Differences between revisions 15 and 19 (spanning 4 versions)

= 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 15 as of 2019-09-14 05:23:34 → 
  Size: 872
  Editor: bsuo
  Comment:
+   ← Revision 19 as of 2019-09-14 05:30:31 → ⇥
  Size: 1035
  Editor: bsuo
  Comment:
-Deletions are marked like this.
+Additions are marked like this.
 Line 18:
-||Node01 ||AMD-Radoen VII ||NWU ||BSuo ||Cent OS 7.6 ||i9-9900K/64G ||8 ||
+||  Node01 ||AMD-Radoen VII ||NWU ||BSuo ||Cent OS 7.6 ||i9-9900K/64G ||8 ||
 Line 25:
-||Node01 || SCF ENE ||SCF Grad ||SCF ENE ||SCF Grad || ifort 17.0.5 20170817, -O2, 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