[buster-discuss] problem with buster (release 20240710) on MacM4 / Sequoia 15.2

[Clemens Vonrhein]

Hi Laurent,

On Wed, Jan 08, 2025 at 09:26:31AM +0100, Laurent Maveyraud via buster-discuss wrote:
> 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....).

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
  ...

> Are there any known problems with M4 / Sequoia ?

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

> 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)