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<p>Hi Clemens,</p>
<p>just to follow up about this crossec problem on M4 chips when
running buster...</p>
<p>Using "<span style="white-space: pre-wrap"> AutomaticFormfactorCorrectionAnalyse=no<span
style="white-space: normal">", as you suggested, did the trick with buster. However, I now try to use pipedream....</span></span></p>
<p><span style="white-space: pre-wrap"><span
style="white-space: normal">Without any specific instructions, I observe the same behavior of buster : it stalls at the crossec step.</span></span></p>
<p><span style="white-space: pre-wrap"><span
style="white-space: normal">When I add -abcommands "AutomaticFormfactorCorrectionAnalyse=no" on the pipedream command, it does not seem to have any effect : buster stalls at the crossec step... It looks like buster does not inherit the command from the pipedream command line. </span></span></p>
<p><span style="white-space: pre-wrap"><span
style="white-space: normal">What's strange, though, is that I can kill the crossec process, and then buster proceeds normally until it tries to run crossec on the next big cycle...</span></span></p>
<p><span style="white-space: pre-wrap"><span
style="white-space: normal">I hope it can help to identify the source of the problem...</span></span></p>
<p><span style="white-space: pre-wrap"><span
style="white-space: normal">kind regards,</span></span></p>
<p><span style="white-space: pre-wrap"><span
style="white-space: normal">Laurent
</span></span></p>
<div class="moz-cite-prefix">Le 13/01/2025 à 10:44, Clemens Vonrhein
a écrit :<br>
</div>
<blockquote type="cite"
cite="mid:Z4TgkRfRadcwssjt@babinet.globalphasing.com">
<pre wrap="" class="moz-quote-pre">Hi Laurent,
On Wed, Jan 08, 2025 at 09:26:31AM +0100, Laurent Maveyraud via buster-discuss wrote:
</pre>
<blockquote type="cite">
<pre wrap="" class="moz-quote-pre">I just upgraded my MacBookPro to the latest M4 chip, and have problems while
running buster (snapshot 20240710) with CCP4 9.
It seems that it get stuck at crossec step at the first cycle : crossec
keeps running (I stopped it after 15 minutes....).
</pre>
</blockquote>
<pre wrap="" class="moz-quote-pre">
That suggests a problem with the CCP4 "crossec" program. Can you try
running e.g.
crossec <<e
ATOM S
NWAV 1 1.0
e
This should be VERY fast and return you something like
...
$TABLE:Wave length v F' and F"- S :
$GRAPHS:Lambda v F' and F" S :A:2,3,4: $$
Atom_type Lambda F' F" $$
Lambda F' F" $$
S 1.0000 0.1886 0.2439
...
</pre>
<blockquote type="cite">
<pre wrap="" class="moz-quote-pre">Are there any known problems with M4 / Sequoia ?
</pre>
</blockquote>
<pre wrap="" class="moz-quote-pre">
Not from our (Global Phasing software) side (yet) - but we have only
access to a M1 system running 15.1 (where the above command works
fine).
You can switch off the check about formfactors (which is the part that
runs CROSSEC) via the
AutomaticFormfactorCorrectionAnalyse=no
parameter (until there is a better understanding where the problem
comes from).
Does that help here?
Cheers
Clemens
</pre>
<blockquote type="cite">
<pre wrap="" class="moz-quote-pre">have a nice day,
laurent
this is the command I used :
refine -p ./refine_02/refine-coot-0.pdb -Gelly ./refine_02/occ.gelly -l
../../my.restraints.cif -m ./scale_01/staraniso_alldata-unique.mtz -WAT 3 -d
refine_03 -nthreads 6 > refine_03.log &
here are the last lines of the logfile :
################################ BIG cycle 1
#################################
ESC[1mNOTEESC[m : (controllable) refinement parameters = XYZ B OCC
running BUSTER (187.01405 - 1.48565 A) in refine_03/01-BUSTER/Cycle-1
[extra library /tmp/maveyrau-BUSTER/maveyrau-1736324017-refine__22844.elib]:
ESC[1mNOTEESC[m : created file for BABSLV by removing 165 atom(s)
</pre>
</blockquote>
</blockquote>
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