[sharp-discuss] refmac5 running for hours now

[Clemens Vonrhein]

Dear Imre,

sorry - this is not something we can debug within
SHARP/autoSHARP. What you might want to do:

1. save the log-file and all input files (HKLIN and XYZIN) and send
   those to the REFMAC developers for debugging. It seems that is is
   stuck in a loop ...

2. try a different set of CCP4/Refmac binaries (I found this to
   sometimes have an effect): e.g. the official CCP4 binaries, the
   latest REFMAC binary from Garibs webpage, your own compiled
   binaries (with g77, ifort, whatever)

3. try running on a different platform (e.g. Linux instead of OsX,
   32bit instead of 64bit)

4. run the automatic building through the official ARP/wARP version.
   The script driving the warpNtrace'ing inside SHARP/autoSHARP is
   slightly different (I hope 'optimized' for SHARP/autoSHARP) from
   the way the official ARP/wARP is running.

5. have you checked the ccp4bb, the CCP4 'problems' page etc for any
   hint about this behaviour?

Hope that gives you some iedas ...

Cheers

Clemens


On Wed, May 16, 2007 at 04:50:15PM +0200, Imre Toeroe wrote:
> A refmac job from arp/warp is running for hours now ..... Any idea?
> 
> Thanks,
> 
> Imre
> 
> The log:
> 
>  
>  ###############################################################
>  ###############################################################
>  ###############################################################
>  ### CCP4 6.0: Refmac_5.2.0019    version 5.2.0019  : 06/09/05##
>  ###############################################################
>  User: toro  Run date: 16/ 5/2007 Run time: 12:57:49 
> 
...
>  Trying gamma equal    12.75003    
>  Trying gamma equal    12.80003    
>  Trying gamma equal    12.85003    
>  Trying gamma equal    12.90003    
> 
> 
> 
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> 

-- 

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