On one CPU core of BOLT.
- 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 | |
/tddft/parallel/tddft-ch2nh2-conint.log | 81.3 | 1.4 | Small | |
/tddft/parallel/tddft-co-hess.log | 47.3 | 0.8 | Small | |
/tddft/parallel/tddft-co-lc.log | 12.7 | 0.2 | Small | |
/tddft/parallel/tddft-co-tammd.log | 4.9 | 0.1 | Small | |
/tddft/parallel/tddft-h2co-sing.log | 23.6 | 0.4 | Small | |
/tddft/parallel/tddft-h2co-trip.log | 29.5 | 0.5 | Small | |
/tddft/parallel/tddft-hcl.log | 55.2 | 0.9 | Small | |
/tddft/parallel/tddft-n2.log | 9.9 | 0.2 | Small | |
/tddft/parallel/tddft-pna.log | 692.5 | 11.5 | Medium | |
/tddft/parallel/tpa-abn.log | 3889.3 | 64.8 | Large | |
/tddft/parallel/tpa-h2o.log | 25.4 | 0.4 | Small | |
/tddft/parallel/utddft-criegee.log | 90.3 | 1.5 | Small | |
/tddft/parallel/utddft-e12.log | 15.3 | 0.3 | Small | |
/tddft/parallel/utddft-h2o-anion.log | 3.8 | 0.1 | Small | |
/tddft/parallel/utddft-o2.log | 41.5 | 0.7 | Small | |
/tddft/parallel/xc-r-scan.log | 27.4 | 0.5 | Small | |
/tddft/parallel/xc-u-scan.log | 9.8 | 0.2 | Small | |
/travis-ci/exam05.log | 0 | 0.0 | Small | |
/travis-ci/exam32.log | 2.6 | 0.0 | Small | |
/travis-ci/exam39.log | 2.5 | 0.0 | Small | |
/travis-ci/exam42.log | 8.7 | 0.1 | Small | |
/travis-ci/exam45.log | 3.2 | 0.1 | Small | |
/travis-ci/exam46.log | 4.8 | 0.1 | Small | |
/travis-ci/exam47.log | 8.3 | 0.1 | Small | |
/travis-ci/parallel/exam01.log | 0.1 | 0.0 | Small | |
/travis-ci/parallel/exam02.log | 0.1 | 0.0 | Small | |
/travis-ci/parallel/exam03.log | 0 | 0.0 | Small | |
/travis-ci/parallel/exam04.log | 0 | 0.0 | Small | |
/travis-ci/parallel/exam06.log | 0.1 | 0.0 | Small | |
/travis-ci/parallel/exam07.log | 0.1 | 0.0 | Small | |
/travis-ci/parallel/exam08.log | 0 | 0.0 | Small | |
/travis-ci/parallel/exam09.log | 0.1 | 0.0 | Small | |
/travis-ci/parallel/exam10.log | 0 | 0.0 | Small | |
/travis-ci/parallel/exam11.log | 0.1 | 0.0 | Small | |
/travis-ci/parallel/exam12.log | 3.4 | 0.1 | Small | |
/travis-ci/parallel/exam13.log | 0.1 | 0.0 | Small | |
/travis-ci/parallel/exam14.log | 0 | 0.0 | Small | |
/travis-ci/parallel/exam15.log | 0.1 | 0.0 | Small | |
/travis-ci/parallel/exam16.log | 0 | 0.0 | Small | |
/travis-ci/parallel/exam17.log | 0 | 0.0 | Small | |
/travis-ci/parallel/exam18.log | 0.1 | 0.0 | Small | |
/travis-ci/parallel/exam19.log | 0.1 | 0.0 | Small | |
/travis-ci/parallel/exam20.log | 0.1 | 0.0 | Small | |
/travis-ci/parallel/exam21.log | 0.2 | 0.0 | Small | |
/travis-ci/parallel/exam22.log | 0.6 | 0.0 | Small | |
/travis-ci/parallel/exam23.log | 0 | 0.0 | Small | |
/travis-ci/parallel/exam24.log | 0 | 0.0 | Small | |
/travis-ci/parallel/exam25.log | 0.1 | 0.0 | Small | |
/travis-ci/parallel/exam26.log | 0.1 | 0.0 | Small | |
/travis-ci/parallel/exam27.log | 0 | 0.0 | Small | |
/travis-ci/parallel/exam28.log | 0.1 | 0.0 | Small | |
/travis-ci/parallel/exam29.log | 0.4 | 0.0 | Small | |
/travis-ci/parallel/exam30.log | 1.8 | 0.0 | Small | |
/travis-ci/parallel/exam31.log | 1.8 | 0.0 | Small | |
/travis-ci/parallel/exam33.log | 4.3 | 0.1 | Small | |
/travis-ci/parallel/exam34.log | 0.3 | 0.0 | Small | |
/travis-ci/parallel/exam35-protect.log | 2 | 0.0 | Small | |
/travis-ci/parallel/exam36-protect.log | 1.8 | 0.0 | Small | |
/travis-ci/parallel/exam37.log | 0.2 | 0.0 | Small | |
/travis-ci/parallel/exam38.log | 7.9 | 0.1 | Small | |
/travis-ci/parallel/exam40.log | 1.3 | 0.0 | Small | |
/travis-ci/parallel/exam41.log | 6.1 | 0.1 | Small | |
/travis-ci/parallel/exam43.log | 2.3 | 0.0 | Small | |
/travis-ci/parallel/exam44.log | 0.9 | 0.0 | Small | |
/trf/parallel/trf-aldet.log | 28.4 | 0.5 | Small | |
/trf/parallel/trf-ccsdt.log | 199.7 | 3.3 | Small | |
/trf/parallel/trf-detpt.log | 86.1 | 1.4 | Small | |
/trf/parallel/trf-guga.log | 7.9 | 0.1 | Small | |
/trf/parallel/trf-local.log | 20.8 | 0.3 | Small | |
/trf/parallel/trf-mchess.log | 24.8 | 0.4 | Small | |
/trf/parallel/trf-ormas.log | 15.5 | 0.3 | Small | |
/trf/parallel/trf-rmp2.log | 58.2 | 1.0 | Small | |
/trf/parallel/trf-ump2.log | 48.8 | 0.8 | Small | |
/trf/parallel/trf-zapt.log | 56.9 | 0.9 | Small | |
/uhf/parallel/au2o4.log | 8.9 | 0.1 | Small | |
/uhf/parallel/c2-uhf.log | 2 | 0.0 | Small | |
/uhf/parallel/c4h6-uhf.log | 22.3 | 0.4 | Small | |
/uhf/parallel/ch2-cuhf.log | 2 | 0.0 | Small | |
/uhf/parallel/criegee.log | 0.4 | 0.0 | Small | |
/uhf/parallel/f2-uhf.log | 1 | 0.0 | Small | |
/uhf/parallel/hco-uhf.log | 0.5 | 0.0 | Small | |
/uhf/parallel/o3-uhf.log | 0.2 | 0.0 | Small |