Help troubleshooting rsp_cpph ctest failure

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mikep219
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Help troubleshooting rsp_cpph ctest failure

Post by mikep219 » 06 Feb 2020, 17:25

My current build of Dalton 2018.2 fails the rsp_cpph ctest with what I suspect is a numeric error. Running "sh rsp_cpph.check rsp_cpph.log" gives the output:

PHOSPHORESCENCE NOT CORRECT ( test = 23; control = 24 );
THERE IS A PROBLEM

I'd hoped it might be easy to tease apart the $GREP / eval structure in that script to locate the problem line, but echoing the eval results to screen shows me that the $GREP commands don't always give a simple 0 or 1:

0 + 1 + 1 + 1 + 0 + 1 + 0 + 1 + 1 + 0 + 0 + 0 + 1 + 0 + 0 + 1 + 1 + 1 + 1 + 0 + 1 + 0 + 9 + 2

Can someone advise how I trace which line(s) in the log are causing the failure?

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magnus
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Re: Help troubleshooting rsp_cpph ctest failure

Post by magnus » 07 Feb 2020, 09:19

You can try to compare the output from the testrun with the reference output in DALTON/test/trueresult/rsp_cpph.ref. If still in doubt, you can attach the output here and let someone else inspect it.

mikep219
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Country: United Kingdom

Re: Help troubleshooting rsp_cpph ctest failure

Post by mikep219 » 07 Feb 2020, 10:25

Thanks. Running a diff shows a lot of output, but of of the numerics seems to differ at or past the 10th sig fig. I'm attaching the log file.
Attachments
rsp_cpph.log
(120.22 KiB) Downloaded 78 times

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magnus
Posts: 523
Joined: 27 Jun 2013, 16:32
First name(s): Jógvan Magnus
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Country: Denmark

Re: Help troubleshooting rsp_cpph ctest failure

Post by magnus » 07 Feb 2020, 10:41

Ok, I just checked against an output where the test passes and the differences are negligible.

mikep219
Posts: 9
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First name(s): Mike
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Affiliation: Lancaster University
Country: United Kingdom

Re: Help troubleshooting rsp_cpph ctest failure

Post by mikep219 » 07 Feb 2020, 15:56

Thanks for checking. I'll make that install live and let the researchers test it out.

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