AMBER Archive (2006)

Subject: Re: AMBER: Respgen segemtation fault

From: David A. Case (case_at_scripps.edu)
Date: Thu Apr 13 2006 - 13:46:55 CDT

On Thu, Apr 13, 2006, Simon Whitehead wrote:
>
> I have encountered difficulty when trying to use respgen in Amber 8,
> everytime i invoke it there is a segmentation fault. I have tried it on two
> different builds (P4 and athlon linux machines both complied with ifort
> ver9) with several different input files but the result is the same. The
> antechamber test runs with no problems but still respgen does not work.
>

We will need more information, probably the input file you used. You can
go to $AMBERHOME/test/antechamber/tp and try this:

     respgen -i tp.ac -o foo -f resp1

This works fine for me, so that would start to see if the problem is in the
input file or in your version of respgen. (I've tried several other input
files, and they all work as well.)

[Note also that respgen is a C program, so the key item is not which fortran
compiler you used, but which C compiler...]

...regards...dac

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