[sharp-discuss] error running rantan

Tue Jul 24 11:17:51 BST 2007

Thanks Clemens, we will install shelx and will go from there.

Alba

On 24-Jul-07, at 3:02 AM, Clemens Vonrhein wrote:

> Todd,
>
> On Mon, Jul 23, 2007 at 10:35:49PM -0400, Todd Pfaff wrote:
>> Regarding your first point, all I can say is that I installed  
>> sharp via
>> the web site documentation.  If Alba would like me to do so, I'll be
>> happy to follow your instructions to configure sharp as you
>> recommend.
>
> The installation is fine - just that the external SHELXC/D programs
> aren't known to the installation. This could have several reasons:
>
>  - you actually don't have those programs (in which case you will
>    need to use RANTAN as the heavy-atom detection program)
>
>  - these programs weren't discovered during the original installation
>
> If you don't have the two programs 'shelxc' and 'shelxd' on your
> computer but you would like to use them: see
> http://shelx.uni-ac.gwdg.de/SHELX/ on how to get them.
>
> If you have the programs, you might want to tell autoSHARP about them,
> using the 'shelx-setup' command:
>
>   % cd /where/ever/sharp
>   % source ./setup.csh              # tcsh/csh
>     - or -
>   % . ./setup.sh                    # ksh/sh/bash/zsh
>   % adm/bin/shelx-setup
>
> which should ask you only for the directory name (absolute path) where
> these two binaries are.
>
>> Regarding the second point, we are only running the sharp software  
>> on the
>> host for which we obtained the license key.  That's what is so  
>> puzzling
>> about the error message.
>
> Indeed, this is puzzling. What sometimes happens is that the operating
> system is swapping ethernet cards (e.g. if you have two): one time it
> is eth0 and the other time eth1. There are (distribution-dependent)
> recipes out thre how to always get the same order, e.g.
>
>   http://www.science.uva.nl/research/air/wiki/LogicalInterfaceNames
>   http://www.mepis.org/node/13039
>
> Or, you could request an additional licence key for the machine in
> it's current 'identity': this way you would have licence keys for both
> types of eth0 interface (depending which one is picked).
>
> The next time you request licence keys for a Linux box you might want
> to do
>
>   % /sbin/ifconfig -a | awk '/^eth/{print $1 "-" $NF}'
>
> and _if_ you have more than one ethernet card: give this information
> twice with swapped eth0/eth1 strings the second time. E.g.:
>
>  eth0-00:11:43:DA:67:9C
>  eth1-00:11:43:DA:67:9D
>  eth1-00:11:43:DA:67:9C
>  eth0-00:11:43:DA:67:9D
>
>
>>  I have no idea what it's trying to do at that
>> point that it is attempting to validate a license and returning that
>> error.
>
> This is the PKMAPS program (part of SHARP/autoSHARP) that is checking
> the licence - which is correct.
>
> You can always check if a licence is present for the current machine,
> by doing
>
>   % setenv BDG_home /where/ever/you/installed/sharp
>
>     - or -
>
>   % BDG_home=/where/ever/you/installed/sharp
>   % export BDG_home
>
>   % $BDG_home/bin/linux_exe/sharp -l
>
> which will give the message
>
>  Licence check finished.
>
> if everything is fine.
>
>> If you can give us some advice as to how to diagnose this problem
>> further, that would be much appreciated.
>
> If you send me (off-list) your current .licence file I can tell you
> for what machines/network-identities it is licenced.
>
> Cheers
>
> Clemens
>
>>
>> Regards,
>> --
>> Todd Pfaff <pfaff at mcmaster.ca>
>> Research & High-Performance Computing Support
>> McMaster University, Hamilton, Ontario, Canada
>> http://www.rhpcs.mcmaster.ca/~pfaff
>>
>> On Mon, 23 Jul 2007, Clemens Vonrhein wrote:
>>
>>> Hi Alba,
>>>
>>> two points (the first is not related to the error you see though):
>>>
>>> - why are you using RANTAN for finding the sites? The SHELXC/D
>>> interface in autoSHARP is much more powerful. If you have the
>>> binaries 'shelxc' and 'shelxd' on your system, please configure
>>> autoSHARP to use it:
>>>
>>>   % cd /where/ever/sharp
>>>   % source ./setup.csh           # for tcsh/csh
>>>     - or -
>>>   % . ./setup.sh                 # for bash/ksh/sh/zsh
>>>   % adm/bin/shelx-setup
>>>
>>> It is highly recommended over RANTAN!
>>>
>>> - your error comes from the fact that you're trying to run on a
>>> computer/machine, for which you haven't got a valid licence
>>> key. Remember that after you registered with us (receiving your
>>> initial licence), you will need to get a licence key for each
>>> machine that you want to run the software on. That is easily done
>>> with the various tools on http://www.globalphasing.com/sharp/ -
>>> which allow you to get the current username/password, request
>>> additional licenec keys and renew your licence.
>>>
>>> Note: if you already have SHARP/autoSHARP running you should go to
>>> the 'request additional licence keys' link and not requesting
>>> another licence for the same lab/group again.
>>>
>>> Hope that helps
>>>
>>> Cheers
>>>
>>> Clemens
>>>
>>> On Fri, Jul 20, 2007 at 03:31:56PM -0400, Alba Guarne wrote:
>>>> My apologies if this question has been posted before but I am  
>>>> new to
>>>> the list.
>>>>
>>>> I have installed SHARP and I am trying to solve a structure by MIR
>>>> using 3 derivatives. Everything looks fine until RANTAN looks for
>>>> sites on the first data set. At the weeding step, I get the  
>>>> following
>>>> error
>>>>
>>>> invalid license data = -15
>>>>
>>>> and autoSHARP stops. Any ideas of what am I missing or haven't
>>>> installed properly?
>>>>
>>>> Thanks
>>>>
>>>> Alba
>>>>
>>>>
>>>> Alba Guarné, PhD
>>>> Assistant Professor
>>>> Department of Biochemistry and Biomedical Sciences
>>>> Health Sciences Centre, Room 4N57A
>>>> McMaster University
>>>> 1200 Main Street West. Hamilton, ON L8N 3Z5
>>>> Phone: (905) 525-9140 ext. 26394
>>>> FAX: (905) 522-9033
>>>> http://www.science.mcmaster.ca/biochem/faculty/guarne/index.htm
>>>>
>>>>
>>>
>>>> _______________________________________________
>>>> sharp-discuss mailing list
>>>> sharp-discuss at globalphasing.com
>>>> https://www.globalphasing.com/mailman/listinfo/sharp-discuss
>>>
>>>
>>>
>
>
> -- 
>
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> * Clemens Vonrhein, Ph.D.     vonrhein AT GlobalPhasing DOT com
> *
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