Diff for "bdfbenchmark"

Differences between revisions 16 and 17

= 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 16 as of 2019-09-14 05:24:29 → 
  Size: 886
  Editor: bsuo
  Comment:
+   ← Revision 17 as of 2019-09-14 05:26:35 → ⇥
  Size: 1054
  Editor: bsuo
  Comment:
-Deletions are marked like this.
+Additions are marked like this.
 Line 18:
-|| <rowspan=2>  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>  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                                         ||

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