AMBER Archive (2008)

Subject: Re: AMBER: [Fwd: segmentation fault in nmode]

From: Guillaume Renvez (grenvez_at_laas.fr)
Date: Tue Jun 17 2008 - 02:48:34 CDT

ok, I'll try to debug this program and I let you know if I manage to fix it.
I also send the input files I used, if someone else wants to try...
thanks!

   guillaume

David A. Case wrote:
> On Mon, Jun 16, 2008, Guillaume Renvez wrote:
>
>
>
>> I'm trying to do a normal mode calculation (with nmode, Amber 8) with
>> the flag ipol = 1, but the program crashes quickly with a "segmentation
>> fault" error message.
>>
>
> I don't know if anyone has used the ipol=1 option in nmode for a long time!
> (I have never used it). This capability was put in by Jim Caldwell (I think),
> and he is reading this list and may remember something. [I'll cc this to him
> as well.]
>
> You may well have to turn on a debugger and try to track this down. People on
> the list might be willing to help, but we would need all the needed files
> (including the prmtop file you are using), in order to give it a try.
>
> ...regards...dac
>
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