Diff for "bdfbenchmark"

Differences between revisions 14 and 15

= 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	ifort 17.0.5 20170817, -O2, gcc 4.8.5, -O2

-  ⇤ ← Revision 14 as of 2019-09-14 05:22:24 → 
  Size: 846
  Editor: bsuo
  Comment:
+   ← Revision 15 as of 2019-09-14 05:23:34 → ⇥
  Size: 872
  Editor: bsuo
  Comment:
-Deletions are marked like this.
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-||Node01 || SCF ENE ||SCF Grad ||SCF ENE ||SCF Grad ||ifort, -O2, gcc -O2 ||
+||Node01 || SCF ENE ||SCF Grad ||SCF ENE ||SCF Grad || ifort 17.0.5 20170817, -O2, gcc  4.8.5,  -O2 ||

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