[sharp-discuss] refmac5 running for hours now

[Imre Toeroe]

Dear Clemens,

Sorry for thoe long logfile, I should have truncated it. I found the
solution : removed the refmac5 from the 6.0.2 CCP4 distribution and
replaced it with 5.3. No problem anymore, everything is built. :-)  I
guess with the soon coming CCP4 release 5.3 will be the official  refmac
version, thus the problem is gone. Actually the problem I had reported,
occured also with other 5.* refmac when running from the SuSHI interface.

Again, many thanks,

Imre

Clemens Vonrhein wrote:
> 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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>>     
>
>