Thank you Professor Case. I have followed what you have mentioned.
1) I ran the attached file and here is the output I got
./Run.dhfr.min_prcg
Segmentation fault
./Run.dhfr.min_prcg: Program error
2) I have attached the prmtop, inpcrd and mdin
3) Compiler/Compiler version
gfortran
Thread model: posix
gcc version 4.1.2 20080704 (Red Hat 4.1.2-44)
Os CentOS release 5.3
On Wed, Jun 30, 2010 at 10:01 PM, case <case.biomaps.rutgers.edu> wrote:
> On Sun, Jun 27, 2010, Jagdeesh C wrote:
>
> > I am getting the same error with ntb=1. (Segmentation fault)
> >
> > When I set ntmin=1 or 2 the job terminates normally. (Output attached)
>
> I can't reproduce the problem. Some ideas:
>
> 1. Go to $AMBERHOME/test/dhfr, and run the attached file
> "Run.dhfr.min_prcg".
> That will help to see if the problem is specific to the coordinates or
> force
> field you are using.
>
> 2. Post your input file (prmtop and coords and mdin), to see if someone
> else
> can reproduce the error.
>
> 3. Say (again?) what compiler, compiler version and OS you are using.
>
> ...thx...dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jul 05 2010 - 20:30:03 PDT
