Dear phenix list,<br><br>My 0.75 A refinement has some problems in its higher resolution bins, so I thought I might try adding in IAS scatterers. However, the phenix.refine (version 2008_09_13_0905) crashed when I set &quot;ias = True&quot;. I hope someone here can help me figure out the problem. I include snippets of output below, as the entire error message was very lengthy. Am I misusing the command, is there a problem with my system setup, or what?<br>
<br>Regards,<br>Anna Gardberg<br><br>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; ----------Building IAS model----------&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; <br><br>&gt;&gt;&gt; Adding IAS..........<br>Total number of covalent bonds =&nbsp; 895<br>show_stack(1): /home/a1g/downloads/cci_apps_sources/mmtbx/ias/__init__.py(438) _<br>
_init__<br>show_stack(2): /home/a1g/downloads/cci_apps_sources/mmtbx/ias/__init__.py(371) s<br>et_peaks<br>show_stack(3): /home/a1g/downloads/cci_apps_sources/mmtbx/ias/__init__.py(616) _<br>_init__<br>show_stack(4): /home/a1g/downloads/cci_apps_sources/mmtbx/model.py(494) add_ias<br>
show_stack(5): /home/a1g/downloads/cci_apps_sources/phenix/phenix/refinement/str<br>ategies.py(409) refinement_machine<br>show_stack(6): /home/a1g/downloads/cci_apps_sources/phenix/phenix/refinement/dri<br>ver.py(1082) run<br>
<br>&lt;snip pages of output&gt;<br><br>&nbsp; /home/a1g/downloads/cci_apps_build/lib/cctbx_maptbx_ext.so(boost::python::obje<br>cts::make_holder&lt;4&gt;::apply&lt;boost::python::objects::value_holder&lt;cctbx::maptbx::o<br>ne_gaussian_peak_approximation&gt;, boost::mpl::vector4&lt;scitbx::af::const_ref&lt;doubl<br>
e, scitbx::af::trivial_accessor&gt; const&amp;, scitbx::af::const_ref&lt;double, scitbx::a<br>f::trivial_accessor&gt; const&amp;, bool const&amp;, bool const&amp;&gt; &gt;::execute(_object*, scit<br>bx::af::const_ref&lt;double, scitbx::af::trivial_accessor&gt; const&amp;, scitbx::af::cons<br>
t_ref&lt;double, scitbx::af::trivial_accessor&gt; const&amp;, bool const&amp;, bool const&amp;)+0x<br>75c) [0x2a9d79598c]<br>&nbsp; /home/a1g/downloads/cci_apps_build/lib/cctbx_maptbx_ext.so(cctbx::maptbx::find<br>_gaussian_parameters::find_gaussian_parameters(scitbx::af::const_ref&lt;double, sci<br>
tbx::af::trivial_accessor&gt; const&amp;, scitbx::af::const_ref&lt;double, scitbx::af::tri<br>vial_accessor&gt; const&amp;, double const&amp;, double const&amp;, double)+0x3fe) [0x2a9d7827f<br>e]<br>&nbsp; /lib64/tls/libm.so.6 [0x32ee506263]<br>
&nbsp; /lib64/tls/libc.so.6 [0x32ee22e300]<br>Floating-point error (Python and libc call stacks above)<br>[1]+&nbsp; Done&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; gedit newscale-ias.eff<br><br>