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.

Reply via email to