Diff for "bdfbenchmark"

Differences between revisions 54 and 58 (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

Molecule	Basis sets	Natoms	NBFs
DNA-1	cc-pVDZ	62	625

-  ⇤ ← Revision 54 as of 2019-09-14 15:01:13 → 
  Size: 1367
  Editor: bsuo
  Comment:
+   ← Revision 58 as of 2019-09-15 10:10:45 → ⇥
  Size: 1374
  Editor: bsuo
  Comment:
-Deletions are marked like this.
+Additions are marked like this.
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-#acl SomeUser:read,write
+#acl bsuo,wangzikuan:read,write
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-= BDF Benchmark= <<TableOfContents(4)>>
+BDF Benchmark <<TableOfContents(4)>>
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-||Node01 ||AMD-Radoen VII ||NWU ||BSuo ||Cent OS 7.6 ||i9-9900K/64G ||8 ||MKL ||
||Node02 ||Bsuo-Mac ||NWU ||BSuo ||MacOS 10.14.4 ||i7 2.7G/16G ||4  || Netlib ||
+||Node01 ||AMD-Radoen VII ||NWU ||BSuo ||Cent OS 7.6 ||i9-9900K 3.6G/64G ||8 ||MKL ||
||Node02 ||Bsuo-Mac ||NWU ||BSuo ||MacOS 10.14.4 ||i7-8559U 2.7G/16G ||4  || Netlib ||
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-||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 ||
+||Node01 ||8 ||212.9 ||59.3 || NA ||NA ||ifort 17.0.5,  -O2 ||gcc 4.8.5, -O2 ||985098074af19ec 2019/09/14 ||
||Node01 ||4 ||333.9 ||87.9 || NA ||NA ||ifort 17.0.5,  -O2 ||gcc 4.8.5, -O2 ||985098074af19ec 2019/09/14 ||
||Node02 ||4 ||977.7 ||276.8 ||NA ||NA ||gfortran 7.4.0,  -Ofast ||gcc 7.4.0, -Ofast ||985098074af19ec 2019/09/14 ||