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Differences between revisions 49 and 52 (spanning 3 versions)
Revision 49 as of 2019-09-14 10:53:34
Size: 1042
Editor: bsuo
Comment:
Revision 52 as of 2019-09-14 14:58:14
Size: 1392
Editor: bsuo
Comment:
Deletions are marked like this. Additions are marked like this.
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||DNA-1 ||cc-pVDZ ||120 ||2100 || ||DNA-1 ||cc-pVDZ || 62 || 625 ||
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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 || Mathlib ||
||Node01 ||AMD-Radoen VII ||NWU ||BSuo ||Cent OS 7.6 ||i9-9900K/64G ||8 || MKL ||
||Node02 || Bsuo-Mac || NWU|| BSuo || MacOS 14 || i7-/16G || 4 | . | Netlib ||
Line 25: Line 26:
||Node01 ||8 ||212.9 ||59.3 ||10.0 ||10.0 ||ifort 17.0.5, -O2 ||gcc 4.8.5, -O2 || 985098074af19ec 2019/09/14 || ||Node01 ||8 ||212.9 ||59.3 ||10.0 ||10.0 ||ifort 17.0.5, -O2 ||gcc 4.8.5, -O2 || 985098074af19ec 2019/09/14 ||
||Node01 ||4 ||333.9 ||87.9 ||10.0 ||10.0 ||ifort 17.0.5, -O2 ||gcc 4.8.5, -O2 || 985098074af19ec 2019/09/14 ||
||Node02 ||4 ||977.7 ||276.8 ||10.0 ||10.0 ||gfortran 7.4.0, -Ofast ||gcc 7.4.0, -Ofast ||985098074af19ec 2019/09/14 ||

= BDF Benchmark=

These data are used to assess BDF and also benchmark CPU and compilers.

Molecules and basis sets used in benchmarks

Molecule

Basis sets

Natoms

NBFs

DNA-1

cc-pVDZ

62

625

Benchmark platforms

No.

Hostname

Location

Name

OS

CPU/MEM

NCOREs

Mathlib

Node01

AMD-Radoen VII

NWU

BSuo

Cent OS 7.6

i9-9900K/64G

8

MKL

Node02

Bsuo-Mac

NWU

BSuo

MacOS 14

i7-/16G

4 | . | Netlib

SCF energy and gradient : ERI and Schwarz prescreeening

Platform

NCores

DNA-1 .

Taxol

Fortran

C

BDF Version

SCF Ene.

SCF Grad.

SCF Ene.

SCF Grad.

Node01

8

212.9

59.3

10.0

10.0

ifort 17.0.5, -O2

gcc 4.8.5, -O2

985098074af19ec 2019/09/14

Node01

4

333.9

87.9

10.0

10.0

ifort 17.0.5, -O2

gcc 4.8.5, -O2

985098074af19ec 2019/09/14

Node02

4

977.7

276.8

10.0

10.0

gfortran 7.4.0, -Ofast

gcc 7.4.0, -Ofast

985098074af19ec 2019/09/14

bdfbenchmark (last edited 2024-04-29 08:00:00 by bsuo)