[phenixbb] reduce hangs

[Andreas Förster]

Dear all,

I'm refining a structure with 11 molecules in the asymmetric unit.

Recently I took out NCS (data are to 2.2A and differences between 
molecules of interest).  Refinement now stalls halfway through with two 
reduce jobs running at 100% CPU.  The current job has been sitting like 
this for four days.  The last entry in the log file are a few XYZ 
individual lines.

Refinement includes XYZ, TLS, individual B, weight optimization.  I 
launched 8 cycles.  Phenix hangs after 4_bss.  I've observed this twice 
in a row.

Any suggestions to overcome this, short of going back to using NCS?

This is with Phenix dev-1538 on RHEL 6.3.


Thanks.


Andreas


-- 
                   Andreas Förster
      Crystallization and Xray Facility Manager
            Centre for Structural Biology
               Imperial College London