hi again, thx for help , this one problem was solved, a lot of thest PASSED,
but one of them got error:
cd qmmm/divcon; ./Run.crambin
diffing crambin.out.save with crambin.out
PASSED
==============================================================
cd qmmm/divcon; ./Run.crambin_md
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
sander.QMMM 081E8665 Unknown Unknown Unknown
sander.QMMM 0818D861 Unknown Unknown Unknown
sander.QMMM 08167800 Unknown Unknown Unknown
sander.QMMM 08167318 Unknown Unknown Unknown
sander.QMMM 080B8504 Unknown Unknown Unknown
sander.QMMM 080661EE Unknown Unknown Unknown
sander.QMMM 0806267A Unknown Unknown Unknown
sander.QMMM 08048209 Unknown Unknown Unknown
sander.QMMM 081DD6CA Unknown Unknown Unknown
sander.QMMM 08048131 Unknown Unknown Unknown
./Run.crambin_md: Program error
make[1]: *** [test.sander.QMMM] Error 1
make[1]: Leaving directory `/usr/local/install/amber/amber-8/test'
maybe you can help with this one too?
thx
Rytis
On Wednesday 01 March 2006 16:08, Ross Walker wrote:
> Hi Rytis,
>
> > ../../exe/sander: symbol lookup error: ../../exe/sander:
> > undefined symbol:
> > f_powdi
> > ./Run.dmp: Program error
> > make[1]: *** [test.sander.no_lmod] Error 1
> > make[1]: Leaving directory `/usr/local/amber/amber-8/test'
>
> A runtime error such as this suggests that you compiled with one compiler
> and did not statically link but then when running your LD_LIBRARY_PATH and
> PATH variables point to a different set of compiler libraries.
>
> E.g. you compiled with ifort v9 but your .cshrc file is setting up your
> environment for the v8 compiler.
>
> Check LD_LIBRARY_PATH and PATH on your machines at runtime and check they
> point to the correct place.
>
> You could also recompile your code statically. That is add the -static
> option to the configure script and then recompile amber. In this way you
> won't have to worry about the wrong libraries being specified at runtime.
>
> 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 |
>
> Note: Electronic Mail is not secure, has no guarantee of delivery, may not
> be read every day, and should not be used for urgent or sensitive issues.
>
>
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--
Rytis Diciunas
Institute of Biotechnology
Graiciuno 8
LT-02241 Vilnius
Lietuva (Lithuania)
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Received on Sun Mar 05 2006 - 06:10:15 PST
