QA/doqmtests.mpi failures

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Hi,
   I have built NWChem 6.8 from src and have been trying to verify the build. I have run the 
doqmtests.mpi test script (with various numbers of threads) but I get about 44 failures from the
roughly 240 tests. I have worked through and eliminated obvious cases of very minor numerical differences. The cases where I am struck are where the output labelled frequency are concerned.
I am not a domain expert so am unsure if there is something sinister in my build or whether the
values are acceptable. Below are the 6 cases that I am particularly unsure of, does anyone have
a view as to whether these results are acceptable ?

dft_s12gh
< Frequency -37 -37 -24 -17 37 37
< Frequency 1053 1679 1679 3529 3661 3661
< Zero-Point correction to Energy = 21.805
---
> Frequency -36 -36 -17 169 196 200
> Frequency 1057 1680 1681 3530 3681 3685
> Zero-Point correction to Energy = 21.889
54c54
< P.Frequency 1053 1679 1679 3529 3661 3661
---
> P.Frequency 1056 1682 1682 3530 3683 3686



hess_biph
< P.Frequency 68 93 127 261 307 363
---
> P.Frequency 69 94 127 262 307 363



hess_ch4
< Frequency -10 -10 -10 3 3 3
---
> Frequency -10 -10 -10 5 5 5



hess_nh3_ub3lyp
< Frequency -15 -14 -13 -10 -9 -9
---
> Frequency -12 -12 -10 -10 -7 -7



o2_zora_so
< Frequency -1 0 1 163 177 1610
---
> Frequency 0 0 0 163 177 1610



spin_ecps_o_hess
< Frequency -1296 -1139 0 0 0 3310
< Frequency -1296 -1139 0 0 0 3310
< Frequency -1211 -916 0 0 0 2340
< Frequency -1211 -916 0 0 0 2340
---
> Frequency -1434 -1296 0 0 0 3310
> Frequency -1434 -1296 0 0 0 3310
> Frequency -1014 -916 0 0 0 2340
> Frequency -1014 -916 0 0 0 2340

Any help gratefully accepted.

--
Jason

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See
http://www.nwchem-sw.org/index.php/Special:AWCforum/st/id2534

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Thanks. I had seen that post, but some of my discrepancies seemed rather more extreme.
If these types of fails are considered generally OK, then thats fine.

--
Jason


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