Dear Kevin,
Thanks for your advice.
I compared cpirate.exam log between pre-built and intel-FFT linked. the
log values seems distinctly different.
Maps with pre-build MLPHARE and intel-FFT don't seem so different. So, I
tried the comparison using phase which estimated by pre-build
mlphare.exam.
However, cpirate.exam's logs are different. As a result, pre-build
cbuccarneer.exam is successful and intel-FFT is failed.
So intel-FFT library may act differently in this case. For reference,
the logs are attached.
--- the cpirate.exam logs by pre-built vs intel-FFT
Automatic content fitting:
Skew by: -0.21875,0 (dense, ordered) 0.96875,0.875 (dense, ordered)
Unbiased results from initial cycle:
R-factor : 0.790483 0.195488
Free R-factor: 0.845515 1.15188
E-correl : 0.504196 0.991128
Free E-correl: 0.195072 0.2489
LgLkGain : 0.331314 2.8692
Free LgLkGain: 0.30185 -inf
Biased results from cycle 2:
Biased R-factor : 0.676287 0.140585
Biased Free R-factor: 0 0
Biased E-correl : 0.650768 0.988193
Biased Free E-correl: 0 0
Biased LgLkGain : 0.526848 nan
Biased Free LgLkGain: 0 0
Biased results from cycle 3:
Biased R-factor : 0.60964 0.191351
Biased Free R-factor: 0 0
Biased E-correl : 0.726925 0.977604
Biased Free E-correl: 0 0
Biased LgLkGain : 0.694419 nan
Biased Free LgLkGain: 0 0
Thanks,
Nobuo OKAZAKI
Kevin Cowtan wrote:
> OK, I had a closer look at this.
>
> Buccaneer is failing because it can't grow a single residue of chain
> from the seed positions. This can only happen if the map is total garbage.
>
> So the first thing to do is check the phases which are going into
> buccaneer in both the gcc and intel cases. Calculate a map from each
> set, and make sure they are both reasonably similar and interpretable
> (they should be for the example data).
>
> If the two maps, differ, then the problem is in the upstream program.
>
> If they don't, then the most likely cause is that buccaneer is not
> calculating the map correctly. Add 'mapout buc.map' to the buccaneer
> command file, and rerun both the gcc and intel versions. If the
> buccaneer map from the intel version is corrupted, then the problem is
> most likely the linking of the fft library in the intel case.
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