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TIMINGS.md

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Timings - Wall Clock

On one CPU core of BOLT.

Category breakdown:

  • Small : total wall-clock less than 5 minutes
  • Medium : total wall-clock less than 30 minutes
  • Large :
Log File Seconds Minutes Category Coverage
/cc/cc-ccsd-gly.log 847.2 14.1 Medium
/cc/cc-compare.log 297.3 5.0 Small
/cc/cc-crcc-hf.log 55.5 0.9 Small
/cc/cc-crcc-surf.log 0.7 0.0 Small
/cc/cc-crcc-trudge.log 1.7 0.0 Small
/cc/cc-crccl-f2.log 0.2 0.0 Small
/cc/cc-crccl-ro-o2.log 20.6 0.3 Small
/cc/cc-crccl-ro-si2o2h2.log 376.4 6.3 Medium
/cc/cc-crcctq-f2.log 2.8 0.0 Small
/cc/cc-ea-chplus.log 7.1 0.1 Small
/cc/cc-ip-n3.log 227.9 3.8 Small
/cc/cc-ip-ohminus.log 5.3 0.1 Small
/cc/cc-multiref.log 772.7 12.9 Medium
/cc/eom-ccsd-ro-c2n.log 62.6 1.0 Small
/cc/eom-ccsd-ro-no2.log 889.6 14.8 Medium
/cc/eom-creom-chplus.log 4.4 0.1 Small
/cc/eom-creom-ozone.log 582.2 9.7 Medium
/cc/eom-creoml-chplus.log 2.4 0.0 Small
/cc/parallel/cc-ccsd-pf3.log 1234.8 20.6 Medium
/cc/parallel/cc-ccsdt-c2.log 55.8 0.9 Small
/cc/parallel/cc-ccsdt-cyt.log 19232.3 320.5 Large
/cc/parallel/cc-ccsdt-h2co.log 82.5 1.4 Small
/cc/parallel/cc-ccsdt-numgrd.log 0.2 0.0 Small
/ci/cis-sf-rohf.log 0.3 0.0 Small
/ci/cis-sf-uhf.log 0.4 0.0 Small
/ci/fsoci-bn.log 66.3 1.1 Small
/ci/fsoci-meoh-cisd.log 6.7 0.1 Small
/ci/genci-c2.log 0.7 0.0 Small
/ci/genci-hno-mcscf.log 1.9 0.0 Small
/ci/guga-hcn-grad.log 2.3 0.0 Small
/ci/guga-hf-hf-hess.log 30.1 0.5 Small
/ci/guga-hf-hf-opt.log 4.2 0.1 Small
/ci/guga-inh2-grad.log 1.8 0.0 Small
/ci/parallel/aldet-be2-fci.log 0.4 0.0 Small
/ci/parallel/aldet-ch3nh2-vci.log 42.7 0.7 Small
/ci/parallel/aldet-ch3sih2-vci.log 84.5 1.4 Small
/ci/parallel/aldet-ch3sih3-vci.log 525.2 8.8 Medium
/ci/parallel/aldet-he-sto.log 2 0.0 Small
/ci/parallel/aldet-meoh-anal.log 9 0.2 Small
/ci/parallel/aldet-tmm.log 0.4 0.0 Small
/ci/parallel/cis-c6h4.log 610.9 10.2 Medium
/ci/parallel/cis-co.log 0.2 0.0 Small
/ci/parallel/cis-hsioh3-grad.log 733 12.2 Medium
/ci/parallel/genci-h2co-mcscf.log 20.1 0.3 Small
/ci/parallel/guga-hf-edecomp.log 19.5 0.3 Small
/ci/parallel/guga-water-cisdtq.log 1.1 0.0 Small
/ci/parallel/ormas-ch2-aqcc.log 2.5 0.0 Small
/ci/parallel/ormas-hcn-acpf.log 28.7 0.5 Small
/ci/parallel/ormas-meoh-cisd.log 45.1 0.8 Small
/ci/parallel/ormas-mn2-cisd.log 15.5 0.3 Small
/ci/parallel/ormas-n-cisd.log 0.1 0.0 Small
/ci/parallel/ormas-o3-cisd.log 872.3 14.5 Medium
/cim/cim-mp2.log 27.2 0.5 Small
/comp/examcomp1.log 0.6 0.0 Small
/comp/examcomp2.log 0.6 0.0 Small
/comp/examcomp3.log 0.3 0.0 Small
/dft/parallel/bibenz-dc.log 25.7 0.4 Small
/dft/parallel/bibenz-lrd.log 252.2 4.2 Small
/dft/parallel/bsse-wat-nh3.log 23 0.4 Small
/dft/parallel/c32h16.log 378.2 6.3 Medium
/dft/parallel/cch-cu-blyp.log 7.3 0.1 Small
/dft/parallel/criegee-udft-hess.log 195.8 3.3 Small
/dft/parallel/dft-etoh.log 68 1.1 Small
/dft/parallel/dft-hfcnh.log 34.3 0.6 Small
/dft/parallel/dft-lc-bpbe.log 17.9 0.3 Small
/dft/parallel/dft-lead.log 109.6 1.8 Small
/dft/parallel/dft-si9h12.log 605.5 10.1 Medium
/dft/parallel/h3po-pcseg.log 1442.6 24.0 Medium
/dft/parallel/h3po-rdft-hess.log 94.4 1.6 Small
/dftb/parallel/exam01.log 0 0.0 Small
/dftb/parallel/exam02.log 0 0.0 Small
/dftb/parallel/exam03.log 0.1 0.0 Small
/dftb/parallel/exam04.log 0.1 0.0 Small
/dftb/parallel/exam05.log 0.1 0.0 Small
/dftb/parallel/exam06-protect.log 0.1 0.0 Small
/dftb/parallel/exam07.log 4.4 0.1 Small
/dftb/parallel/exam08.log 0.1 0.0 Small
/dftb/parallel/exam48.log 0.2 0.0 Small
/ecp/ecp-pbi2-ims.log 0.7 0.0 Small
/ecp/parallel/ecp-bisn-grad.log 120.2 2.0 Small
/ecp/parallel/ecp-bisn-hess.log 23.3 0.4 Small
/ecp/parallel/ecp-cr-wat6.log 1.9 0.0 Small
/ecp/parallel/ecp-f3ass.log 2.8 0.0 Small
/ecp/parallel/ecp-lucl2h.log 5.3 0.1 Small
/ecp/parallel/ecp-luclhoh.log 1.9 0.0 Small
/ecp/parallel/ecp-moocl4.log 1.3 0.0 Small
/ecp/parallel/ecp-pbi2-ddi.log 0.4 0.0 Small
/ecp/parallel/ecp-ptcl6.log 0.7 0.0 Small
/ecp/parallel/ecp-rn2f3.log 6.7 0.1 Small
/ecp/parallel/ecp-snme2-hess.log 5.2 0.1 Small
/ecp/parallel/ecp-xe2f3.log 382.8 6.4 Medium
/eda/eda-ac-wat-ims.log 53.2 0.9 Small
/eda/eda-c2h6-zapt.log 87.7 1.5 Small
/eda/eda-n-n-ump2.log 1.2 0.0 Small
/eda/parallel/eda-ac-wat-ddi.log 97 1.6 Small
/eda/parallel/eda-c2h6-zapt-ddi.log 125.2 2.1 Small
/eda/parallel/eda-cu-wat.log 2.9 0.0 Small
/eda/parallel/eda-n-n-ump2-ddi.log 2.3 0.0 Small
/eda/parallel/eda-wat2-ccsdt.log 20.6 0.3 Small
/eda/parallel/eda-wat2-rblyp.log 31 0.5 Small
/eda/parallel/eda-wat2-roblyp.log 41.3 0.7 Small
/eda/parallel/eda-wat2-ublyp.log 41.5 0.7 Small
/eda/parallel/moro-wat2.log 0.6 0.0 Small
/eda/parallel/moro-wat3.log 9 0.2 Small
/eda/parallel/rvs-f-wat3.log 35.2 0.6 Small
/efmo/parallel/exam01.log 0.1 0.0 Small
/efmo/parallel/exam02.log 1.5 0.0 Small
/efmo/parallel/exam03.log 0.1 0.0 Small
/efp-ci/aldetS1.log 26.5 0.4 Small
/efp-ci/aldetS2.log 30 0.5 Small
/efp-ci/ormasS1.log 24.8 0.4 Small
/efp-ci/ormasS2.log 34.5 0.6 Small
/efp-ci/parallel/mcqdpt.log 122.9 2.0 Small
/efp-ci/parallel/ormasQ.log 190.8 3.2 Small
/efp-ci/parallel/ormpt.log 117.3 2.0 Small
/efp-ci/parallel/sa-mcscf.log 23.8 0.4 Small
/efp-ci/parallel/sa-ormas.log 24.5 0.4 Small
/excitations/parallel/wat_mom.log 0.1 0.0 Small
/excitations/tddft_os/parallel/hf1.log 3.4 0.1 Small
/excitations/tddft_os/parallel/hf2.log 11.6 0.2 Small
/excitations/tddft_os/parallel/hf3.log 6.3 0.1 Small
/excitations/tddft_os/parallel/pna8efp1.log 149.1 2.5 Small
/excitations/tddft_os/parallel/pna8efp2.log 152.1 2.5 Small
/exotic/cbs-h2o-ims.log 1607.3 26.8 Medium
/exotic/cbs-n2-ims.log 735.6 12.3 Medium
/exotic/exponent.log 2.8 0.0 Small
/exotic/parallel/cbs-h2o-ddi.log 3999.7 66.7 Large
/exotic/parallel/cbs-n2-ddi.log 1458.8 24.3 Medium
/exotic/parallel/cbs-nf3.log 2719.6 45.3 Large
/exotic/parallel/corehole.log 0.2 0.0 Small
/exotic/parallel/efield.log 0.1 0.0 Small
/exotic/parallel/inttyp.log 813.7 13.6 Medium
/exotic/parallel/loc-boys-tri.log 38 0.6 Small
/exotic/parallel/loc-er-anth.log 7.5 0.1 Small
/exotic/parallel/pdc-histidine.log 0.4 0.0 Small
/exotic/parallel/stone-dma.log 0 0.0 Small
/exotic/parallel/virt-acavo.log 0.9 0.0 Small
/exotic/parallel/virt-korbs.log 0.1 0.0 Small
/exotic/parallel/virt-mvoq.log 8.3 0.1 Small
/exotic/parallel/virt-vvos.log 12.7 0.2 Small
/exrep/4h2o-1.log 2.8 0.0 Small
/exrep/4h2o-2.log 2.8 0.0 Small
/exrep/4h2o-3.log 2.8 0.0 Small
/exrep/4h2o-4.log 2.8 0.0 Small
/exrep/h2o_acetone_efpqm.log 162.5 2.7 Small
/exrep/h2o_acetone_qmefp.log 3.2 0.1 Small
/exrep/h2o_meoh_efpqm.log 10.9 0.2 Small
/exrep/h2o_meoh_qmefp.log 2 0.0 Small
/gvb/gvb-c2h4-hess.log 0.4 0.0 Small
/gvb/gvb-nh-xxyy.log 0.1 0.0 Small
/gvb/gvb-ti2h6-hess.log 112.3 1.9 Small
/gvb/parallel/gvb-bo-cation.log 2.2 0.0 Small
/gvb/parallel/gvb-c4h6.log 8.4 0.1 Small
/gvb/parallel/gvb-gly-pp10.log 25.5 0.4 Small
/gvb/parallel/gvb-h2-tcscf.log 0.8 0.0 Small
/gvb/parallel/gvb-h2co-1app.log 1.2 0.0 Small
/gvb/parallel/gvb-h2si=geh2-pp2.log 67.9 1.1 Small
/gvb/parallel/gvb-h3cn-xxyy.log 2.1 0.0 Small
/gvb/parallel/gvb-h3cn-xy.log 0.6 0.0 Small
/gvb/parallel/gvb-he-trip.log 0 0.0 Small
/gvb/parallel/gvb-meo.log 0.2 0.0 Small
/gvb/parallel/gvb-ncccco-pp3.log 305 5.1 Medium
/gvb/parallel/gvb-nh-1sig.log 0.1 0.0 Small
/gvb/parallel/gvb-nh-3sig.log 0.1 0.0 Small
/gvb/parallel/gvb-nh-xy.log 0.1 0.0 Small
/gvb/parallel/gvb-no.log 0.1 0.0 Small
/gvb/parallel/gvb-o-cation.log 0.1 0.0 Small
/gvb/parallel/gvb-ozone.log 0.7 0.0 Small
/gvb/parallel/gvb-p2h4-vvos.log 3.8 0.1 Small
/gvb/parallel/gvb-si2o2h2.log 0.8 0.0 Small
/gvb/parallel/gvb-silene.log 0.2 0.0 Small
/gvb/parallel/gvb-superoxide.log 0.1 0.0 Small
/gvb/parallel/gvb-ti2f2h4-protect.log 61.8 1.0 Small
/mcp/mcp-ph3-mp2-ims.log 2.2 0.0 Small
/mcp/parallel/mcp-au.log 0.1 0.0 Small
/mcp/parallel/mcp-f2.log 35.1 0.6 Small
/mcp/parallel/mcp-f3ass.log 9.5 0.2 Small
/mcp/parallel/mcp-ir4co12.log 56.3 0.9 Small
/mcp/parallel/mcp-nico4-dft.log 53.4 0.9 Small
/mcp/parallel/mcp-ph3-mp2-ddi.log 1.4 0.0 Small
/mcp/parallel/mcp-sbh3.log 1.3 0.0 Small
/mcp/parallel/mcp-vn12.log 1043.6 17.4 Medium
/mcp/parallel/mcp-y-wat2-fmo.log 58.3 1.0 Small
/mcp/parallel/mcp-y-wat2-rhf.log 22.1 0.4 Small
/mcscf/diabat/parallel/mc-diab-brac.log 17.9 0.3 Small
/mcscf/diabat/parallel/mc-diab-hnco.log 624.1 10.4 Medium
/mcscf/diabat/parallel/mc-diab-lif.log 7.6 0.1 Small
/mcscf/diabat/parallel/mc-diab-lifh.log 3.6 0.1 Small
/mcscf/diabat/parallel/mc-diab-nh3.log 43.6 0.7 Small
/mcscf/diabat/parallel/mc-diab-twoh2.log 0.1 0.0 Small
/mcscf/freq/parallel/mc-hess-c2.log 5.9 0.1 Small
/mcscf/freq/parallel/mc-hess-c2h4-s0.log 2.3 0.0 Small
/mcscf/freq/parallel/mc-hess-c2h4-s1.log 1.7 0.0 Small
/mcscf/freq/parallel/mc-hess-c2o.log 4.2 0.1 Small
/mcscf/freq/parallel/mc-hess-c3o.log 25.6 0.4 Small
/mcscf/freq/parallel/mc-hess-h2cnh.log 3.3 0.1 Small
/mcscf/freq/parallel/mc-hess-h2co-s0-protect.log 4.5 0.1 Small
/mcscf/freq/parallel/mc-hess-h2co-s1.log 2.3 0.0 Small
/mcscf/freq/parallel/mc-hess-hsiph2.log 96.4 1.6 Small
/mcscf/freq/parallel/mc-hess-takako.log 435 7.3 Medium
/mcscf/mrpt/mc-ormpt2-lif-protect.log 27 0.5 Small
/mcscf/mrpt/parallel/mc-detpt-bic-long.log 9.2 0.2 Small
/mcscf/mrpt/parallel/mc-detpt-bic-short.log 7.9 0.1 Small
/mcscf/mrpt/parallel/mc-detpt-bic-ts.log 14.5 0.2 Small
/mcscf/mrpt/parallel/mc-detpt-dl.log 201.9 3.4 Small
/mcscf/mrpt/parallel/mc-detpt-nbh-protect.log 110.9 1.8 Small
/mcscf/mrpt/parallel/mc-detpt-nh2.log 7.1 0.1 Small
/mcscf/mrpt/parallel/mc-gmcpt-c6h6.log 92.6 1.5 Small
/mcscf/mrpt/parallel/mc-gmcpt-hcn.log 37 0.6 Small
/mcscf/mrpt/parallel/mc-gmcpt-siccc.log 67.2 1.1 Small
/mcscf/mrpt/parallel/mc-mcqdpt-buta.log 7.6 0.1 Small
/mcscf/mrpt/parallel/mc-mcqdpt-c3si.log 42.8 0.7 Small
/mcscf/mrpt/parallel/mc-mcqdpt-lif.log 0.2 0.0 Small
/mcscf/mrpt/parallel/mc-mcqdpt-tich2.log 23.5 0.4 Small
/mcscf/nacme/parallel/mc-nacme-bh2.log 8.1 0.1 Small
/mcscf/nacme/parallel/mc-nacme-buta.log 7.2 0.1 Small
/mcscf/nacme/parallel/mc-nacme-c3h5f.log 23.1 0.4 Small
/mcscf/nacme/parallel/mc-nacme-h2cph.log 2.7 0.0 Small
/mcscf/nacme/parallel/mc-nacme-hno-protect.log 132.3 2.2 Small
/mcscf/nacme/parallel/mc-nacme-lif.log 20.2 0.3 Small
/mcscf/nacme/parallel/mc-nacme-mgfh-protect.log 5.1 0.1 Small
/mcscf/nacme/parallel/mc-nacme-nh2ch2.log 10.2 0.2 Small
/mcscf/psi/mc-psi-c2-r12.log 58.8 1.0 Small
/mcscf/psi/mc-psi-c3oh4.log 67.2 1.1 Small
/mcscf/psi/mc-psi-cn.log 63.8 1.1 Small
/mcscf/psi/mc-psi-h3cn-protect.log 213 3.6 Small
/mcscf/psi/mc-psi-hno-jacobi.log 4.3 0.1 Small
/mcscf/psi/mc-psi-n3f.log 8.6 0.1 Small
/mcscf/psi/mc-psi-stilbene-protect.log 1265.9 21.1 Medium
/mcscf/psi/parallel/mc-psi-asn.log 8.8 0.1 Small
/mcscf/psi/parallel/mc-psi-aza-s0.log 38.9 0.6 Small
/mcscf/psi/parallel/mc-psi-aza-s1.log 493.1 8.2 Medium
/mcscf/psi/parallel/mc-psi-c2h4-opt-protect.log 12.4 0.2 Small
/mcscf/psi/parallel/mc-psi-c4h4.log 3.8 0.1 Small
/mcscf/psi/parallel/mc-psi-c5h.log 35.1 0.6 Small
/mcscf/psi/parallel/mc-psi-c6h6-olmo.log 3.6 0.1 Small
/mcscf/psi/parallel/mc-psi-ekt.log 1.1 0.0 Small
/mcscf/psi/parallel/mc-psi-etheth.log 0.6 0.0 Small
/mcscf/psi/parallel/mc-psi-h2cnh.log 33.7 0.6 Small
/mcscf/psi/parallel/mc-psi-he.log 0.1 0.0 Small
/mcscf/psi/parallel/mc-psi-hno-dynwt.log 55.1 0.9 Small
/mcscf/psi/parallel/mc-psi-hno-freeze.log 2.2 0.0 Small
/mcscf/psi/parallel/mc-psi-hof.log 0.2 0.0 Small
/mcscf/psi/parallel/mc-psi-lih.log 0.2 0.0 Small
/mcscf/psi/parallel/mc-psi-linser.log 0.2 0.0 Small
/mcscf/psi/parallel/mc-psi-n2.log 0.2 0.0 Small
/mcscf/psi/parallel/mc-psi-si09h12.log 17.9 0.3 Small
/mcscf/psi/parallel/mc-psi-water.log 0.8 0.0 Small
/mcscf/xing/mc-coni-c2h4-protect.log 59 1.0 Small
/mcscf/xing/mc-coni-ch2nh2-protect.log 51.1 0.9 Small
/mcscf/xing/parallel/mc-mex-ch2.log 1.3 0.0 Small
/mp2/ddi-rhf-mp2-gan9.log 287.4 4.8 Small
/mp2/ims-rhf-mp2-accuracy.log 254.6 4.2 Small
/mp2/ims-rhf-mp2-carbaphos.log 672.8 11.2 Medium
/mp2/ims-rhf-mp2-cro3oh.log 35 0.6 Small
/mp2/ims-rhf-mp2-gan9.log 265.2 4.4 Small
/mp2/ims-rhf-mp2-h2so4.log 354.3 5.9 Medium
/mp2/ims-rhf-mp2-h3ccho.log 15.8 0.3 Small
/mp2/ims-rhf-mp2-h3po-numgrd.log 11 0.2 Small
/mp2/ims-rhf-mp2-hcn2-bent.log 1.3 0.0 Small
/mp2/ims-rhf-mp2-hcn2-planar.log 1.1 0.0 Small
/mp2/ims-rhf-mp2-n2.log 0.1 0.0 Small
/mp2/ims-rhf-mp2-n5.log 14.4 0.2 Small
/mp2/ims-rhf-mp2-quinone.log 706.2 11.8 Medium
/mp2/ims-rhf-mp2-ti2h8.log 149.9 2.5 Small
/mp2/parallel/ddi-rhf-mp2-accuracy.log 252.6 4.2 Small
/mp2/parallel/ddi-rhf-mp2-carbaphos.log 899.1 15.0 Medium
/mp2/parallel/ddi-rhf-mp2-cro3oh.log 22.8 0.4 Small
/mp2/parallel/ddi-rhf-mp2-h2so4.log 335.4 5.6 Medium
/mp2/parallel/ddi-rhf-mp2-h3ccho.log 14 0.2 Small
/mp2/parallel/ddi-rhf-mp2-h3po-numgrd.log 7.5 0.1 Small
/mp2/parallel/ddi-rhf-mp2-hcn2-bent.log 0.8 0.0 Small
/mp2/parallel/ddi-rhf-mp2-hcn2-planar.log 0.7 0.0 Small
/mp2/parallel/ddi-rhf-mp2-n2.log 0.1 0.0 Small
/mp2/parallel/ddi-rhf-mp2-n5.log 13.7 0.2 Small
/mp2/parallel/ddi-rhf-mp2-quinone.log 658.6 11.0 Medium
/mp2/parallel/ddi-rhf-mp2-ti2h8.log 150.2 2.5 Small
/mp2/parallel/ddi-rohf-rmp-atom-s.log 0 0.0 Small
/mp2/parallel/ddi-rohf-rmp-c2.log 0.4 0.0 Small
/mp2/parallel/ddi-rohf-rmp-ch2.log 0.4 0.0 Small
/mp2/parallel/ddi-rohf-rmp-o2.log 0.6 0.0 Small
/mp2/parallel/ddi-rohf-rmp-siloxy.log 0.7 0.0 Small
/mp2/parallel/ddi-rohf-zapt-atom-s.log 0.1 0.0 Small
/mp2/parallel/ddi-rohf-zapt-c2.log 0.7 0.0 Small
/mp2/parallel/ddi-rohf-zapt-c4o4.log 683.1 11.4 Medium
/mp2/parallel/ddi-rohf-zapt-ch2.log 0.6 0.0 Small
/mp2/parallel/ddi-rohf-zapt-hco.log 46.9 0.8 Small
/mp2/parallel/ddi-rohf-zapt-o2.log 1.3 0.0 Small
/mp2/parallel/ddi-rohf-zapt-siloxy.log 0.9 0.0 Small
/mp2/parallel/ddi-uhf-mp2-niamm.log 17.7 0.3 Small
/mp2/parallel/ddi-uhf-mp2-nicotine.log 826.8 13.8 Medium
/mp2/parallel/ddi-uhf-mp2-tmm.log 123.1 2.1 Small
/mp2/parallel/rhf-rimp2-c6h6.log 3.4 0.1 Small
/mp2/parallel/rhf-rimp2-hippo.log 523.1 8.7 Medium
/mp2/parallel/uhf-rimp2-catnip.log 70.3 1.2 Small
/mp2/serial-rhf-mp2-accuracy.log 202.5 3.4 Small
/mp2/serial-rhf-mp2-carbaphos.log 3015.8 50.3 Large
/mp2/serial-rhf-mp2-gan9.log 267.9 4.5 Small
/mp2/serial-rhf-mp2-h2so4.log 167.5 2.8 Small
/mp2/serial-rhf-mp2-h3ccho.log 5.2 0.1 Small
/mp2/serial-rhf-mp2-h3po-numgrd.log 4.2 0.1 Small
/mp2/serial-rhf-mp2-hcn2-bent.log 0.7 0.0 Small
/mp2/serial-rhf-mp2-hcn2-planar.log 0.5 0.0 Small
/mp2/serial-rhf-mp2-n2.log 0.1 0.0 Small
/mp2/serial-rhf-mp2-n5.log 11.6 0.2 Small
/mp2/serial-rhf-mp2-quinone.log 689.7 11.5 Medium
/mp2/serial-rhf-mp2-ti2h8.log 122.9 2.0 Small
/mp2/serial-rohf-rmp-atom-s.log 0 0.0 Small
/mp2/serial-rohf-rmp-c2.log 0.4 0.0 Small
/mp2/serial-rohf-rmp-c4o4.log 2675.7 44.6 Large
/mp2/serial-rohf-rmp-ch2.log 0.3 0.0 Small
/mp2/serial-rohf-rmp-o2.log 0.6 0.0 Small
/mp2/serial-rohf-rmp-siloxy.log 0.6 0.0 Small
/mp2/serial-rohf-zapt-atom-s.log 0 0.0 Small
/mp2/serial-rohf-zapt-c2.log 0.3 0.0 Small
/mp2/serial-rohf-zapt-c4o4.log 826.6 13.8 Medium
/mp2/serial-rohf-zapt-ch2.log 0.3 0.0 Small
/mp2/serial-rohf-zapt-hco.log 46.9 0.8 Small
/mp2/serial-rohf-zapt-o2.log 0.3 0.0 Small
/mp2/serial-rohf-zapt-siloxy.log 0.4 0.0 Small
/mp2/serial-uhf-mp2-niamm.log 9.6 0.2 Small
/mp2/serial-uhf-mp2-nicotine.log 924.4 15.4 Medium
/mp2/serial-uhf-mp2-tmm.log 71.8 1.2 Small
/numdiff/nh3-mp2-seminum-ims.log 0.3 0.0 Small
/numdiff/parallel/b12h12-fullnum.log 3.6 0.1 Small
/numdiff/parallel/e1-cc-numgrd.log 0.2 0.0 Small
/numdiff/parallel/e1-mp2-numgrd.log 0 0.0 Small
/numdiff/parallel/e10-seminum.log 0.1 0.0 Small
/numdiff/parallel/e21-seminum.log 0.3 0.0 Small
/numdiff/parallel/e36-seminum-protect.log 0.9 0.0 Small
/numdiff/parallel/efp1-5h2o-seminum.log 0.1 0.0 Small
/numdiff/parallel/efp1-hcn-seminum.log 0.9 0.0 Small
/numdiff/parallel/efp1-qm-numgrd.log 44.3 0.7 Small
/numdiff/parallel/efp2-5h2o-seminum.log 0.1 0.0 Small
/numdiff/parallel/efp2-fo-numgrd.log 3 0.1 Small
/numdiff/parallel/efp2-fo-opt-numgrd.log 1.3 0.0 Small
/numdiff/parallel/h2coo-seminum.log 4.1 0.1 Small
/numdiff/parallel/h2o-opt-numgrd.log 1.2 0.0 Small
/numdiff/parallel/h3po-mp2-numgrd.log 7.5 0.1 Small
/numdiff/parallel/hooh-fullnum.log 3.7 0.1 Small
/numdiff/parallel/nh3-mp2-seminum-ddi.log 0.3 0.0 Small
/numdiff/parallel/water-ci-numgrd.log 0.2 0.0 Small
/numdiff/parallel/water-dipole.log 0.1 0.0 Small
/openmp/parallel/omp-exam01.log 0.1 0.0 Small
/openmp/parallel/omp-exam02.log 116.5 1.9 Small
/openmp/parallel/omp-exam03.log 12.2 0.2 Small
/openmp/parallel/omp-exam04.log 17.4 0.3 Small
/openmp/parallel/omp-exam05.log 8.1 0.1 Small
/openmp/parallel/omp-exam06.log 81 1.4 Small
/openmp/parallel/omp-exam07.log 62.4 1.0 Small
/openmp/parallel/omp-exam08.log 58.7 1.0 Small
/openmp/parallel/omp-exam09.log 547 9.1 Medium
/openmp/parallel/omp-exam10.log 66.8 1.1 Small
/openmp/parallel/omp-exam11.log 11.9 0.2 Small
/openmp/parallel/omp-exam12.log 11.9 0.2 Small
/openmp/parallel/omp-exam13.log 11.9 0.2 Small
/pes/parallel/drc-nh3.log 0 0.0 Small
/pes/parallel/grdxtr-1.log 3.9 0.1 Small
/pes/parallel/grdxtr-2.log 3.8 0.1 Small
/pes/parallel/irc-ampc4.log 0.1 0.0 Small
/pes/parallel/irc-gs2.log 32.2 0.5 Small
/pes/parallel/irc-rk4.log 0.1 0.0 Small
/pes/parallel/mex-h3nnh.log 20 0.3 Small
/pes/parallel/mex-hnnh.log 2.6 0.0 Small
/pes/parallel/mex-hon.log 54.6 0.9 Small
/pes/parallel/opt-acthcp-protect.log 9.3 0.2 Small
/pes/parallel/opt-bakerf.log 0.1 0.0 Small
/pes/parallel/opt-glyzwit.log 0.1 0.0 Small
/pes/parallel/opt-harmcon.log 0.2 0.0 Small
/pes/parallel/opt-n8.log 0.4 0.0 Small
/pes/parallel/opt-ogeo.log 0.9 0.0 Small
/pes/parallel/opt-pqq.log 5 0.1 Small
/pes/parallel/opt-vt-dmso.log 2.8 0.0 Small
/pes/parallel/opt-watdim.log 0.1 0.0 Small
/pes/parallel/sadpt-bakerd.log 0.1 0.0 Small
/pes/parallel/sadpt-bofill3.log 1.4 0.0 Small
/pes/parallel/sadpt-cerjan7.log 0.1 0.0 Small
/pes/parallel/sadpt-cerjan8.log 0.1 0.0 Small
/pes/parallel/sadpt-conopt.log 0.3 0.0 Small
/pes/parallel/sadpt-culot1.log 0.2 0.0 Small
/pes/parallel/sadpt-culot2.log 0.1 0.0 Small
/pes/parallel/sadpt-culot3.log 0.5 0.0 Small
/pes/parallel/sadpt-h3sioh.log 104.8 1.7 Small
/pes/parallel/sadpt-ihrep.log 1.6 0.0 Small
/pes/parallel/surface-fno.log 0.4 0.0 Small
/pes/parallel/trudge-ch2.log 0.2 0.0 Small
/pes/sadpt-bakere.log 0.6 0.0 Small
/qmefpea/argon-dimer.log 0.1 0.0 Small
/qmefpea/parallel/qfea-cis.log 45.7 0.8 Small
/qmefpea/parallel/qfea-mp2.log 47.9 0.8 Small
/qmefpea/parallel/qfea-rhf.log 21.6 0.4 Small
/qmefpea/parallel/qfea-tddft.log 383.9 6.4 Medium
/qmefpea/qfea-ccsd.log 736.6 12.3 Medium
/qmefpea/qfea-eom.log 1222.7 20.4 Medium
/qmefpea/qfea-mcscf.log 47.3 0.8 Small
/quanpol/1ao6pbcw-qmmm.log 44.3 0.7 Small
/quanpol/parallel/2lde-mmff94-ffdata.log 0.7 0.0 Small
/quanpol/parallel/acetic-pka.log 75.1 1.3 Small
/quanpol/parallel/nacl-pmf.log 20.4 0.3 Small
/quanpol/parallel/nacl-rmdf.log 1 0.0 Small
/quanpol/parallel/pep10only-mm-opt.log 0.6 0.0 Small
/quanpol/parallel/si199h92-1.log 0.1 0.0 Small
/quanpol/parallel/si199h92-2.log 1 0.0 Small
/quanpol/parallel/si199h92-3.log 216.8 3.6 Small
/quanpol/parallel/water-pbc-ewald.log 7.6 0.1 Small
/quanpol/parallel/water-pbc-shift.log 1.4 0.0 Small
/quanpol/pep10only-mm-md.log 0.3 0.0 Small
/quanpol/pep10only-qmmm-md.log 0.9 0.0 Small
/quanpol/pep10only-qmmm-opt.log 0.7 0.0 Small
/quanpol/pep10pbcw-mm-ewald.log 22.2 0.4 Small
/quanpol/pep10pbcw-mm-shift.log 3.4 0.1 Small
/quanpol/pep10pbcw-qmmm.log 5.4 0.1 Small
/quanpol/rna-3nj6-fixsol.log 14.9 0.2 Small
/quanpol/toluene-redox.log 94.3 1.6 Small
/R-7gradient/parallel/efp2-2meoh.log 18 0.3 Small
/R-7gradient/parallel/ethene_ethyne_grad.log 0.7 0.0 Small
/R-7gradient/parallel/ethene_ethyne_grad_tt.log 0.7 0.0 Small
/R-7gradient/parallel/h2o_trimer_grad.log 0.3 0.0 Small
/R-7gradient/parallel/h2o_trimer_optimize.log 2.5 0.0 Small
/relwfn/agi-iotc.log 869.1 14.5 Medium
/relwfn/aucl4-dk.log 39.4 0.7 Small
/relwfn/auh-iotc.log 290.3 4.8 Small
/relwfn/bi-j-jz-soc.log 309 5.2 Medium
/relwfn/cf3i-dk.log 20.4 0.3 Small
/relwfn/cisplat-lut.log 975.3 16.3 Medium
/relwfn/heavyatm-iotc.log 2128.2 35.5 Large
/relwfn/parallel/agh-grad-resc.log 7.4 0.1 Small
/relwfn/parallel/agh-resc-soc.log 5.8 0.1 Small
/relwfn/parallel/aro-soc.log 26.4 0.4 Small
/relwfn/parallel/as-ecp-soc.log 0.1 0.0 Small
/relwfn/parallel/as-mcp-soc.log 4.5 0.1 Small
/relwfn/parallel/as2-mcp-soc.log 9.2 0.2 Small
/relwfn/parallel/au-resc.log 4.7 0.1 Small
/relwfn/parallel/ch-soc.log 0.1 0.0 Small
/relwfn/parallel/ch2-soc.log 0.1 0.0 Small
/relwfn/parallel/cuh-nesc.log 34.3 0.6 Small
/relwfn/parallel/ga-mcp-soc.log 86.9 1.4 Small
/relwfn/parallel/h-spinor-soc.log 0.1 0.0 Small
/relwfn/parallel/h2o-grad-nesc.log 0.1 0.0 Small
/relwfn/parallel/h2o-nesc-soc.log 0.3 0.0 Small
/relwfn/parallel/h2o-o-nesc.log 0.1 0.0 Small
/relwfn/parallel/hgme2-lut.log 370.3 6.2 Medium
/relwfn/parallel/i-soc.log 0.9 0.0 Small
/relwfn/parallel/n2o2-soc.log 4.3 0.1 Small
/relwfn/parallel/na-soc.log 0.1 0.0 Small
/relwfn/parallel/nicl-soc.log 5.1 0.1 Small
/relwfn/parallel/o2-mcp-soc.log 4.4 0.1 Small
/relwfn/parallel/pbh2-iotc-soc.log 7.9 0.1 Small
/relwfn/parallel/rebrco5-lut.log 786.8 13.1 Medium
/relwfn/parallel/rn-iotc.log 169 2.8 Small
/rhf/biat3.log 1586.1 26.4 Medium
/rhf/parallel/adsbo.log 42.3 0.7 Small
/rhf/parallel/arsenicin.log 51.3 0.9 Small
/rhf/parallel/c28.log 93 1.6 Small
/rhf/parallel/c60-spectrum.log 39.8 0.7 Small
/rhf/parallel/c6h6.log 4.9 0.1 Small
/rhf/parallel/ga4se4.log 376.7 6.3 Medium
/rhf/parallel/h2co-1ap.log 2.5 0.0 Small
/rhf/parallel/p4.log 140.9 2.3 Small
/rhf/parallel/shell405.log 540.5 9.0 Medium
/rhf/parallel/t6-poss.log 20.7 0.3 Small
/rhf/parallel/tbs.log 1114.3 18.6 Medium
/rohf/parallel/ch2-3b1.log 0.1 0.0 Small
/rohf/parallel/cocl4.log 0.4 0.0 Small
/rohf/parallel/feamm.log 9 0.2 Small
/rohf/parallel/fef4.log 117 2.0 Small
/rohf/parallel/h2co-3app.log 4.8 0.1 Small
/rohf/parallel/niamm.log 89 1.5 Small
/rohf/parallel/spiro-cation.log 5.6 0.1 Small
/semi-emperical/parallel/pm6-d3h+.log 0 0.0 Small
/semi-emperical/parallel/pm6-pcm.log 0.1 0.0 Small
/semi-emperical/parallel/pm6.log 0 0.0 Small
/solvent/efp-ctcut/efp2-32h2o-32nh3_ctcut.log 0.8 0.0 Small
/solvent/efp-ctcut/parallel/efp2-3h2o-3meoh_ctcut.log 0.3 0.0 Small
/solvent/efp-ctcut/parallel/efp2-4nh4-4no3_ctcut.log 0.2 0.0 Small
/solvent/efp1/h2co-4wat-mc-pcm.log 79.7 1.3 Small
/solvent/efp1/parallel/acetone-1h2o-td-e.log 72 1.2 Small
/solvent/efp1/parallel/acetone-2h2o-td-g.log 457.9 7.6 Medium
/solvent/efp1/parallel/acetone-pbc-md.log 2751.1 45.9 Large
/solvent/efp1/parallel/efp1-fo-06watmp2.log 0.2 0.0 Small
/solvent/efp1/parallel/efp1-fo-64watmp2.log 14.1 0.2 Small
/solvent/efp1/parallel/efp1-fo-64watrhf.log 2 0.0 Small
/solvent/efp1/parallel/efp1-fo-dipole.log 0 0.0 Small
/solvent/efp1/parallel/efp1-fo-energy.log 0 0.0 Small
/solvent/efp1/parallel/efp1-fo-grad.log 0 0.0 Small
/solvent/efp1/parallel/efp1-fo-hess.log 0.1 0.0 Small
/solvent/efp1/parallel/efp1-fo-irc.log 0.3 0.0 Small
/solvent/efp1/parallel/efp1-fo-md.log 0 0.0 Small
/solvent/efp1/parallel/efp1-fo-pbc.log 0 0.0 Small
/solvent/efp1/parallel/efp1-fo-sad.log 0 0.0 Small
/solvent/efp1/parallel/efp1-glycine.log 39.8 0.7 Small
/solvent/efp1/parallel/efp1-glycyl-ump2.log 40.1 0.7 Small
/solvent/efp1/parallel/efp1-h2co-pbc.log 2 0.0 Small
/solvent/efp1/parallel/efp1-lj-c6h6.log 0 0.0 Small
/solvent/efp1/parallel/efp1-o2-zapt.log 69.6 1.2 Small
/solvent/efp1/parallel/efp1-qm-c-hess.log 3.4 0.1 Small
/solvent/efp1/parallel/efp1-qm-c-opt.log 3.5 0.1 Small
/solvent/efp1/parallel/efp1-qm-hess.log 0.9 0.0 Small
/solvent/efp1/parallel/efp1-qm-irc.log 0.5 0.0 Small
/solvent/efp1/parallel/efp1-qm-md-nve.log 40.3 0.7 Small
/solvent/efp1/parallel/efp1-qm-md-nvt.log 40.4 0.7 Small
/solvent/efp1/parallel/efp1-qm-md-rest.log 20.3 0.3 Small
/solvent/efp1/parallel/efp1-qm-numgrd.log 44.3 0.7 Small
/solvent/efp1/parallel/efp1-qm-opt.log 2.5 0.0 Small
/solvent/efp1/parallel/efp1-qm-sad.log 1.6 0.0 Small
/solvent/efp1/parallel/fmo-gly4-efp58.log 286 4.8 Small
/solvent/efp1/parallel/fmo-h2o4-efp20-ddi.log 17.5 0.3 Small
/solvent/efp1/parallel/fmo-h2o4-efp4-ddi.log 16.5 0.3 Small
/solvent/efp1/parallel/h2co-4wat-rmp2.log 58 1.0 Small
/solvent/efp1/parallel/h2co-4wat-tddft.log 18 0.3 Small
/solvent/efp1/parallel/qfea-cis.log 45.5 0.8 Small
/solvent/efp1/parallel/qfea-mp2-ddi.log 47.9 0.8 Small
/solvent/efp1/parallel/qfea-rhf.log 21.6 0.4 Small
/solvent/efp1/parallel/qfea-tddft.log 382.8 6.4 Medium
/solvent/efp1/parallel/tip5p-6h2o.log 0.1 0.0 Small
/solvent/efp1/parallel/tip5p-md-prop.log 17 0.3 Small
/solvent/efp1/parallel/wat2-af.log 37 0.6 Small
/solvent/efp1/parallel/wat2-fa.log 2.8 0.0 Small
/solvent/efp1/parallel/wat3-aff.log 49.5 0.8 Small
/solvent/efp1/qfea-ccsd.log 732.3 12.2 Medium
/solvent/efp1/qfea-eom.log 1217.3 20.3 Medium
/solvent/efp1/qfea-mp2-ims.log 44.2 0.7 Small
/solvent/efp2/glycyl-water.log 0.3 0.0 Small
/solvent/efp2/makefp-glycyl.log 89.5 1.5 Small
/solvent/efp2/parallel/efp2-1nh4-1no3.log 6.2 0.1 Small
/solvent/efp2/parallel/efp2-2h2o-meoh.log 9.9 0.2 Small
/solvent/efp2/parallel/efp2-2meoh.log 18 0.3 Small
/solvent/efp2/parallel/efp2-3h2o-3meoh.log 3.7 0.1 Small
/solvent/efp2/parallel/efp2-4nh3-1nh4.log 0.1 0.0 Small
/solvent/efp2/parallel/efp2-4nh4-4no3.log 3.8 0.1 Small
/solvent/efp2/parallel/efp2-64c6h6.log 45.5 0.8 Small
/solvent/efp2/parallel/efp2-64ccl4-rdf.log 47.2 0.8 Small
/solvent/efp2/parallel/efp2-64h2o-1c6h6.log 108.5 1.8 Small
/solvent/efp2/parallel/efp2-64h2o.log 98.6 1.6 Small
/solvent/efp2/parallel/efp2-6h2o.log 61.3 1.0 Small
/solvent/efp2/parallel/ewald-lev1-opt.log 5.6 0.1 Small
/solvent/efp2/parallel/ewald-lev2-md.log 6.7 0.1 Small
/solvent/efp2/parallel/ewald-lev3-md.log 86.3 1.4 Small
/solvent/efp2/parallel/makefp-ch2cl2.log 46 0.8 Small
/solvent/efp2/parallel/makefp-h2o-scr02.log 1.1 0.0 Small
/solvent/efp2/parallel/makefp-h2o-scr34.log 1.5 0.0 Small
/solvent/efp2/qm-efp2-3meoh.log 1.6 0.0 Small
/solvent/efp2/qm-efp2-6h2o.log 1.9 0.0 Small
/solvent/mnsol/parallel/smd-rdft-e.log 35.4 0.6 Small
/solvent/mnsol/parallel/smd-rdft-grad.log 26.2 0.4 Small
/solvent/mnsol/parallel/smd-rdft-opt.log 167.9 2.8 Small
/solvent/mnsol/parallel/smd-rhf-e.log 30.8 0.5 Small
/solvent/mnsol/parallel/smd-rhf-grad.log 40.9 0.7 Small
/solvent/mnsol/parallel/smd-rhf-hess.log 42.6 0.7 Small
/solvent/mnsol/parallel/smd-rmp2-e-ddi.log 4 0.1 Small
/solvent/mnsol/parallel/smd-rmp2-opt.log 34 0.6 Small
/solvent/mnsol/parallel/smd-rohf-grad.log 0.6 0.0 Small
/solvent/mnsol/parallel/smd-uhf-grad.log 0.7 0.0 Small
/solvent/mnsol/smd-rmp2-e-ims.log 4.1 0.1 Small
/solvent/mnsol/smvle-rhf-e.log 193.7 3.2 Small
/solvent/mnsol/smvle-rhf-grad.log 182.3 3.0 Small
/solvent/pcm/parallel/cpcm-psi.log 27.8 0.5 Small
/solvent/pcm/parallel/fmo-pcm.log 1.7 0.0 Small
/solvent/pcm/parallel/pcm-acetate-c-d-r.log 1.7 0.0 Small
/solvent/pcm/parallel/pcm-acetate-es.log 14.5 0.2 Small
/solvent/pcm/parallel/pcm-acetone.log 172.6 2.9 Small
/solvent/pcm/parallel/pcm-cobalt.log 68.5 1.1 Small
/solvent/pcm/parallel/pcm-efp-acetone.log 82.1 1.4 Small
/solvent/pcm/parallel/pcm-efp-benzoic.log 38.9 0.6 Small
/solvent/pcm/parallel/pcm-efp-cinn.log 56.5 0.9 Small
/solvent/pcm/parallel/pcm-efp-fragonly.log 3.6 0.1 Small
/solvent/pcm/parallel/pcm-efp-gly.log 14.5 0.2 Small
/solvent/pcm/parallel/pcm-efp-vitc.log 156.4 2.6 Small
/solvent/pcm/parallel/pcm-hccoo-1.log 3.1 0.1 Small
/solvent/pcm/parallel/pcm-hccoo-3.log 15.7 0.3 Small
/solvent/pcm/parallel/pcm-hcn-hess.log 2.6 0.0 Small
/solvent/pcm/parallel/pcm-hcn-mcscf.log 4.9 0.1 Small
/solvent/pcm/parallel/pcm-hetero.log 32.4 0.5 Small
/solvent/pcm/parallel/pcm-i3.log 28.8 0.5 Small
/solvent/pcm/parallel/pcm-mensch.log 1.9 0.0 Small
/solvent/pcm/parallel/pcm-pna.log 545.4 9.1 Medium
/solvent/pcm/parallel/pcm-pol5p-h2co.log 433 7.2 Medium
/solvent/pcm/parallel/pcm-rmp2-meoh.log 33.6 0.6 Small
/solvent/pcm/parallel/pcm-tddft-co.log 2.6 0.0 Small
/solvent/pcm/parallel/pcm-zapt-cuh2o.log 83.8 1.4 Small
/solvent/pcm/parallel/pcm_h2co_mrmp2-pcm_fors-ref.log 17.9 0.3 Small
/solvent/pcm/parallel/pcm_h2co_mrmp2-pcm_scf-ref.log 16 0.3 Small
/solvent/pcm/parallel/pcm_h2co_orpt2-pcm_afors-ref.log 20.7 0.3 Small
/solvent/pcm/pcm-ch4.log 2.9 0.0 Small
/solvent/pcm/pcm-hf.log 12.9 0.2 Small
/solvent/pcm/pcm-tddft-h2o.log 11.7 0.2 Small
/solvent/pcm/pcm-ump2-h2ncoh.log 150.9 2.5 Small
/solvent/pcm/pcm_h2co_mrmp2-pcm_fors-ref-SA-PT2.log 53.4 0.9 Small
/solvent/pcm/pcm_h2co_orpt2-pcm_afors-ref-SA-PT2.log 49.2 0.8 Small
/solvent/reorg/eq_OPhO_ox_dmf_-1_IEF13_ions.log 184.2 3.1 Small
/solvent/reorg/eq_OPhO_ox_dmf_0_IEF13_ions.log 107.3 1.8 Small
/solvent/reorg/reorg_eq_OPhO_ox_dmf_-1_IEF13_F60.log 184.3 3.1 Small
/solvent/reorg/reorg_eq_OPhO_ox_dmf_0_IEF13_F60.log 107.4 1.8 Small
/solvent/scrf/parallel/scrf-fsioc2n.log 33.3 0.6 Small
/solvent/scrf/parallel/scrf-h2cnh.log 53.3 0.9 Small
/solvent/scrf/parallel/scrf-rohf.log 4.4 0.1 Small
/solvent/svpe/cmirs-ch3conh2.log 560.5 9.3 Medium
/solvent/svpe/cmirs-superoxide.log 133.8 2.2 Small
/solvent/svpe/ssvpe-acetone-es.log 12.7 0.2 Small
/solvent/svpe/ssvpe-acetone-gs.log 31 0.5 Small
/solvent/svpe/svp-gvb.log 0.2 0.0 Small
/solvent/svpe/svp-mcscf.log 0.4 0.0 Small
/solvent/svpe/svp-rhf.log 0.2 0.0 Small
/solvent/svpe/svp-rohf.log 0.2 0.0 Small
/solvent/svpe/svp-uhf.log 0.3 0.0 Small
/solvent/svpe/svpe-ch3conh2.log 103.6 1.7 Small
/spectra/nmr-h2otrimer.log 100.6 1.7 Small
/spectra/nmr-nh2oh.log 16.7 0.3 Small
/spectra/nmr-nh3.log 16.6 0.3 Small
/spectra/parallel/pol-alpha.log 0.2 0.0 Small
/spectra/parallel/pol-ffield-ddi.log 7.2 0.1 Small
/spectra/parallel/pol-poldyn.log 0.5 0.0 Small
/spectra/parallel/pol-tdhf-co.log 56.3 0.9 Small
/spectra/parallel/raman-c6h6.log 0.1 0.0 Small
/spectra/parallel/raman-h2co.log 5.9 0.1 Small
/spectra/parallel/vibdecomp.log 0 0.0 Small
/spectra/parallel/vscf-coord-ddi.log 54.9 0.9 Small
/spectra/parallel/vscf-h2.log 4.4 0.1 Small
/spectra/parallel/vscf-h2co-qff1.log 0.1 0.0 Small
/spectra/parallel/vscf-h2co-qff2.log 0.1 0.0 Small
/spectra/parallel/vscf-h2o-ddi.log 30.2 0.5 Small
/spectra/parallel/vscf-hssh.log 23.5 0.4 Small
/spectra/parallel/vscf-rimp2.log 19.1 0.3 Small
/spectra/pol-ffield-ims.log 8.2 0.1 Small
/spectra/pol-tdhf-h2o.log 2.7 0.0 Small
/spectra/tdx-ala.log 6547.2 109.1 Large
/spectra/tdx-ccl4.log 319.3 5.3 Medium
/spectra/transitn-si.log 0.5 0.0 Small
/spectra/vscf-coord-ims.log 56.9 0.9 Small
/spectra/vscf-h2o-ims.log 30.3 0.5 Small
/svd/parallel/svd1.log 10.8 0.2 Small
/svd/parallel/svd2.log 7.9 0.1 Small
/svd/parallel/svd3.log 7.9 0.1 Small
/svd/parallel/svd4.log 3.2 0.1 Small
/svd/parallel/svd5.log 3.3 0.1 Small
/tddft/parallel/polar-dft-h2o.log 364.4 6.1 Medium
/tddft/parallel/sf-ro-efp-opt.log 379.3 6.3 Medium
/tddft/parallel/sf-ro-efp-pcm-opt.log 493 8.2 Medium
/tddft/parallel/sf-ro-grad.log 0.4 0.0 Small
/tddft/parallel/sf-ro-pcm.log 86.5 1.4 Small
/tddft/parallel/sf-u-efp-opt.log 344.8 5.7 Medium
/tddft/parallel/sf-u-efp-pcm-opt.log 460.4 7.7 Medium
/tddft/parallel/sf-u-opt.log 336.1 5.6 Medium
/tddft/parallel/sf-u-pcm-opt.log 37.5 0.6 Small
/tddft/parallel/tddft-aldehyde.log 12.4 0.2 Small
/tddft/parallel/tddft-bond-funct.log 1.5 0.0 Small
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/travis-ci/exam46.log 4.8 0.1 Small
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/travis-ci/parallel/exam30.log 1.8 0.0 Small
/travis-ci/parallel/exam31.log 1.8 0.0 Small
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/travis-ci/parallel/exam44.log 0.9 0.0 Small
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