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Unit test failing on BGQ #941
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@markdewing Will you have time to have a look at the spline2 since you created it? |
Yes, I can look at it. |
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The laplacian is stored as x, y, and z components during the spline evaluation and summed into the x component at the end. Need to allocate more space for it in the unit test. Fixes QMCPACK#941
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Increase num_splines to ensure correct alignment on BG/Q. Rearrange the test accesses to gradients and hessians to match the SoA layout. Should fix QMCPACK#941
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From last night,
test_unit_spline2 fails with mixed precision build and hangs with full precision build.
https://cdash.qmcpack.org/CDash/testDetails.php?test=2803958&build=26247
test_particle has kc = nan
https://cdash.qmcpack.org/CDash/testDetails.php?test=2803962&build=26247
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