Input 01-casida.06-casida_scalapack.inp

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
1st eps-diff E 3.007022120000000e-01 3.007022120000000e-01 1.500000000000000e-08 0.000000000000000e+00 PASS
3rd eps-diff E 3.537278300000000e-01 3.537278300000000e-01 1.770000000000000e-07 0.000000000000000e+00 PASS
1st eps-diff f 6.585185810000000e-22 0.000000000000000e+00 1.000000000000000e-08 6.585185810000000e-22 PASS
7th eps-diff f 3.147722510000000e-23 0.000000000000000e+00 1.000000000000000e-08 3.147722510000000e-23 PASS
1st Petersilka E 3.449669340000000e-01 3.449669340000000e-01 1.000000000000000e-08 0.000000000000000e+00 PASS
2nd Petersilka E 3.449669340000000e-01 3.449669340000000e-01 1.720000000000000e-08 0.000000000000000e+00 PASS
3rd Petersilka E 3.537278290000000e-01 3.537278290000000e-01 1.770000000000000e-08 0.000000000000000e+00 PASS
9th Petersilka E 4.543864810000000e-01 4.543864810000000e-01 2.270000000000000e-08 0.000000000000000e+00 PASS
1st Petersilka f 7.554554870000000e-22 7.552156500000000e-22 1.000000000000000e-08 2.398370000000437e-25 PASS
2nd Petersilka f 7.554760780000000e-22 7.554436610000000e-22 1.000000000000000e-08 3.241700000001157e-26 PASS
7th Petersilka f 4.964723860000000e-02 4.964723860000000e-02 2.480000000000000e-09 -6.938893903907228e-18 PASS
9th Petersilka f 4.974459740000000e-02 4.974459740000001e-02 2.490000000000000e-09 -6.938893903907228e-18 PASS
1st Casida E 3.421152140000000e-01 3.421152140000000e-01 1.710000000000000e-08 0.000000000000000e+00 PASS
2nd Casida E 3.537278290000000e-01 3.537278290000000e-01 1.770000000000000e-08 0.000000000000000e+00 PASS
3rd Casida E 3.738617100000000e-01 3.738617100000000e-01 1.870000000000000e-07 0.000000000000000e+00 PASS
1st Casida f 6.737349630000000e-22 0.000000000000000e+00 9.999999999999999e-22 6.737349630000000e-22 PASS
3rd Casida f 1.102172100000000e-29 0.000000000000000e+00 1.000000000000000e-27 1.102172100000000e-29 PASS
9th Casida f 4.597552950000000e-02 4.597407190000000e-02 1.610000000000000e-06 1.457599999997450e-06 PASS
1st TDA E 3.449669340000000e-01 3.449669340000000e-01 1.720000000000000e-08 0.000000000000000e+00 PASS
2nd TDA E 3.537278290000000e-01 3.537278290000000e-01 1.770000000000000e-08 0.000000000000000e+00 PASS
3rd TDA E 3.744347120000000e-01 3.744347120000000e-01 1.870000000000000e-08 0.000000000000000e+00 PASS
1st TDA f 7.715696620000000e-22 0.000000000000000e+00 1.000000000000000e-08 7.715696620000000e-22 PASS
3rd TDA f 1.149387750000000e-29 0.000000000000000e+00 1.000000000000000e-08 1.149387750000000e-29 PASS
9th TDA f 4.588411820000000e-02 4.588262880000001e-02 1.640000000000000e-06 1.489399999991814e-06 PASS
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