[phenixbb] reduce hangs
docandreas at gmail.com
Tue Dec 3 05:11:44 PST 2013
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
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.
Crystallization and Xray Facility Manager
Centre for Structural Biology
Imperial College London
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