[sharp-discuss] error running rantan
Clemens Vonrhein
vonrhein at globalphasing.com
Tue Jul 24 08:02:12 BST 2007
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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