Test #2 (nitrogen) from testsuite is failing about qball HOT 3 OPEN

Is this in BG/Q? Can you run further and check the normalization (charge)?

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Is this in BG/Q?

When I encountered the issue, it was on cab. Xavier said he saw the same problem on a different machine, but I'm not sure which one.

Can you run further and check the normalization (charge)?

Sure. I'll also check if it's repeatable on a BG/Q.

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Can you run further and check the normalization (charge)?

To note, the charge is unchanging (to the 8 digits of precision given) for both the test's reference run and my most recent runs on cab.

(The reference run has 50 MD steps with 80 electronic steps each. In my recent runs, I've tried 50 and 100 MD steps with 80 electronic steps each. The energy has converged within 10 meV for this system within 30 MD steps, so I don't think running it for longer will be very illuminating.)

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