RE: AMBER: question about compilation of AMBER8 on MANDRAKE9.2

From: Ross Walker <ross.rosswalker.co.uk>
Date: Mon, 16 Aug 2004 11:13:09 -0700

Hi Sarah,

What happens if you compile xleap without the static flag? It is possible
that you don't have static versions of the X11 libraries. This is unusual
for X11 but commonly occurs with MPI implementations.

Does your AMBERHOME environment variable match the amber installation you
are using?

Also, what was the error message you saw when you first compiled everything
and you say leap failed. Did you do Make clean before trying to compile leap
again?

Try a couple of things...

Verify that your AMBERHOME directory is set correctly. Try running xleap
with the full path to ensure you are using the correct executable.
$AMBERHOME/exe/xleap

First off create a config file for dynamic linking (no -static). Then do
make clean and then make and see if xleap compiles. If it fails please send
me the error messages.

All the best
Ross

/\
\/
|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
| http://www.rosswalker.co.uk/ | PGP Key available on request |



> -----Original Message-----
> From: owner-amber.scripps.edu
> [mailto:owner-amber.scripps.edu] On Behalf Of Sarah Rankin
> Sent: 16 August 2004 10:15
> To: amber.scripps.edu
> Subject: Re: AMBER: question about compilation of AMBER8 on
> MANDRAKE9.2
>
> Madalin,
>
> I have compiled amber8 on Mandrake 9.2 for a Pentium IV
> 3.2Ghz using ifort8.0
> and the -static flag and everything worked as per the manual,
> except for
> xleap. I have not tried compiling the parallel versions of
> sander though.
>
> If I install leap on its own, the install finishes fine, but
> when I start
> xleap I get the following error:
>
> -I: Adding /home/sarah/packages/amber8/dat/leap/prep to search path.
> -I: Adding /home/sarah/packages/amber8/dat/leap/lib to search path.
> -I: Adding /home/sarah/packages/amber8/dat/leap/parm to search path.
> -I: Adding /home/sarah/packages/amber8/dat/leap/cmd to search path.
> Wcl Error: WcWidgetCreation(xaLeap) - Failed
> Problem: No children could be created from Xrm database.
> Possible: Resource file not found
> user environment:
> XENVIRONMENT is not set,
> XAPPLRESDIR not terminated with '/'
> user environment or installation:
> $XENVIRONMENT/XaLeap does not exist.
> Possible: top level widget in resource file not named 'xaLeap'
> Error: Shell widget xaLeap has zero width and/or height
>
> tleap works fine though. I am not sure what is going on with
> xleap though so
> any hints would be appreciated!
>
> Regards
>
> Sarah
>
>
>
> On Friday 13 Aug 2004 11:02, Madalin Giambasu wrote:
> > Did anyone compiled amber8 on Mandrake9.2 using ifort8.0 ?
> >
> > Has anyone more details about this compilation on Mandrake (possible
> > errors, bugs, etc.) and how were they resolved ?
> >
> >
> > -------------------------------------------------------
> > Madalin G. Giambasu
> > Junior Research Assistant
> > Institute of Biochemistry of Romanian Academy of Science
> > Splaiul Independentei 296, 060031, Bucharest 17, Romania
> > Phone: (+4)021.223.90.69; FAX: (+4)021.223.90.68
> >
> > -------------------------------------------------------
> >
> >
> --------------------------------------------------------------
> ---------
> > The AMBER Mail Reflector
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>
> --
> Sarah Rankin
> Cancer Research UK Biomolecular Structure Group
> University of London School of Pharmacy
> 29/39 Brunswick Square
> LONDON
> WC1N 1AX
>
> --------------------------------------------------------------
> ---------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>

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