Diff for "bdfbenchmark"

Differences between revisions 19 and 21 (spanning 2 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

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 19 as of 2019-09-14 05:30:31 → 
  Size: 1035
  Editor: bsuo
  Comment:
+   ← Revision 21 as of 2019-09-14 05:33:33 → ⇥
  Size: 903
  Editor: bsuo
  Comment:
-Deletions are marked like this.
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-|| No.         || Hostname            || Location || Name || OS                 || CPU/MEM         || NCOREs ||
||  Node01 ||AMD-Radoen VII ||NWU ||BSuo ||Cent OS 7.6 ||i9-9900K/64G ||8 ||
+||No. ||Hostname ||Location ||Name ||OS ||CPU/MEM ||NCOREs ||
||Node01 ||AMD-Radoen VII ||NWU ||BSuo ||Cent OS 7.6 ||i9-9900K/64G ||8 ||
-Line 24:
+Line 22:
-||Platform |||| DNA-1 . ||||<style="text-align:center">Taxol ||||<style="text-align:center">Compiler and flags ||
||<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                                         ||
+||Platform ||||<style="text-align:center">DNA-1 . ||||<style="text-align:center">Taxol ||||<style="text-align:center">Compiler and flags ||
||<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