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# Testing
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Testing of NWCHem 6.8 with both gcc and Arm compiler.
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Testing of NWChem 6.8 with both gcc and Arm compiler.
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The test script doqmtests.mpi has been used to test these builds on a TX2 system. Currently there are a number of failed tests (currently 20 from 240 tests)
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The following test cases from doqmtests.mpi fail for very minor numerical differences and are deemed acceptable.
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Ar_scs-mp2_cc-vqz, He_scs-mp2_cc-vqz, Ne_scs-mp2_cc-vqz, acr_lcblyp.ok, bf_cis.ok, ch3f-lc-wpbe, ch3f-lc-wpbeh, ch3f_zora_shielding, ch3radical_rot, ch3radical_unrot, cho_bp_props, cytosine_ccsd, dft_xdm1, etf_hcons, h2o_vscf, hi_zora_sf, mp2_si2h6, oh2, oniom4, prop_cg_nh3_b3lyp, tce_cr_eom_t_ozone, tce_eomsd_eomsol1, tce_eomsd_eomsol2, uoverlap. |
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Ar_scs-mp2_cc-vqz, He_scs-mp2_cc-vqz, Ne_scs-mp2_cc-vqz, acr_lcblyp.ok, bf_cis.ok, ch3f-lc-wpbe, ch3f-lc-wpbeh, ch3f_zora_shielding, ch3radical_rot, ch3radical_unrot, cho_bp_props, cytosine_ccsd, dft_xdm1, etf_hcons, h2o_bnl, h2o_vscf, hi_zora_sf, mp2_si2h6, o2_bnl, oh2, oniom4, prop_cg_nh3_b3lyp, tce_cr_eom_t_ozone, tce_eomsd_eomsol1, tce_eomsd_eomsol2, uoverlap. |
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