Re: [AMBER] Help with amber12 at ORNL

From: David A Case <case.biomaps.rutgers.edu>
Date: Wed, 18 Jul 2012 16:08:58 -0400

On Wed, Jul 18, 2012, Foertter, Fernanda S. wrote:
>
> Thanks for your answer. I was just trying to recreate the error so I could type it here. Here's the full bit:
>
> cc -DCC='"cc"' -DCPP='"ucpp -l"' -DFLIBS='"-lsff_mpi -lpbsa -larpack -llapack -lblas -L/ccs/home/zty/codes/amber12/lib -lnetcdf -lgfortran -w "' \
> -DBINTRAJ -DMPI \
> -o /ccs/home/zty/codes/amber12/bin/mpinab nab.c
> /ccs/home/zty/codes/amber12/bin/mpinab -c allatom_to_dna3.nab
> make: *** [allatom_to_dna3.o] Illegal instruction

OK...this is beyond remote debugging. I don't know why gcc (I think
that is the compiler you specified) would be creating code with illegal
instructions. Does the serial code for nab work? "mpinab" is an
executable that only differs in a tiny way from "nab" (e.g. by adding
mpi_init() calls to the code it outputs). Make sure you are building
mpinab in a way that is a similar as possible to the way you build nab.
Be sure that you don't have any object files lying around from some other
compiler. You'll probably have to compile and run mpinab in a debugger to
flag down the origin of the illegal instruction.

...dac


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Received on Wed Jul 18 2012 - 13:30:04 PDT
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