Hi Neha,
This looks to me like your copy of sander was build on a different architecture to the one your are trying to run on. This often happens with Intel chips and the Intel compiler for example when one builds on a newer processor than the one one actually ends up running on.
So first see if the test cases will work and/or try rebuilding AMBER on the same hardware that you are trying to run on.
All the best
Ross
> On Feb 12, 2016, at 22:26, neha chaudhary <nehachaudhary769.gmail.com> wrote:
>
> Hello Sir,
>
> I want to minimize my protein-ligand complex in AMBER using the following
> command:
>
> $AMBERHOME/bin/sander -O -i min.in -o min.out -p com_solvated.prmtop -c
> com_solvated.inpcrd -r min.rst -ref com_solvated.inpcrd -inf min.mdinfo
>
> The run terminated with this:
>
> forrtl: severe (168): Program Exception - illegal instruction
> Image PC Routine Line
> Source
> sander 000000000097D7A3 Unknown Unknown Unknown
> sander 00000000004C30B2 Unknown Unknown Unknown
> sander 00000000004AD461 Unknown Unknown Unknown
> sander 00000000004A7287 Unknown Unknown Unknown
> sander 0000000000415E2C Unknown Unknown Unknown
> libc.so.6 000000352EA1ED5D Unknown Unknown Unknown
> sander 0000000000415D29 Unknown Unknown Unknown
>
> I did'nt get any min.rst file. I am attaching my min.out file herewith,
> please help.
>
> Best Regards,
>
> *Neha*
>
> Research Scholar,
> Centre for Computational Biology and Bioinformatics,
> School of Life Sciences,
> Central University of Himachal Pradesh,
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Received on Fri Feb 12 2016 - 23:00:05 PST
