Hi,
If a file named min1.rst already exists and you are running without
the '-O' (overwrite) option I think you can get this error. You also
need to make sure of course that you have correct permissions and
space to write the file. Unfortunately without more information it's
difficult to tell much more than that. Could you attach your entire
output file, plus any relevant log files/stdout/stderr (if this was
multiprocessor run on a cluster or something). Thanks!
-Dan
On Fri, Feb 3, 2012 at 6:51 AM, <abinayar.imsc.res.in> wrote:
>
> Dear amber users,
>
> Kindly let me know the reason for the error that has occured.My execution
> is getting terminated automatically due to the error.
> My .rst file is not getting generated.
>
> General flags:
> imin = 1, nmropt = 0
>
> Nature and format of input:
> ntx = 1, irest = 0, ntrx = 1
>
> Nature and format of output:
> ntxo = 1, ntpr = 100, ntrx = 1, ntwr =
> 500
> iwrap = 0, ntwx = 0, ntwv = 0, ntwe =
> 0
> ioutfm = 0, ntwprt = 0, idecomp = 0, rbornstat=
> 0
>
> Potential function:
> ntf = 1, ntb = 0, igb = 1, nsnb =
> 25
> ipol = 0, gbsa = 0, iesp = 0
> dielc = 1.00000, cut = 999.00000, intdiel = 1.00000
> saltcon = 0.00000, offset = 0.09000, gbalpha= 1.00000
> gbbeta = 0.00000, gbgamma = 0.00000, surften = 0.00500
> rdt = 0.00000, rgbmax = 999.00000 extdiel = 78.50000
> alpb = 0
>
> Frozen or restrained atoms:
> ibelly = 0, ntr = 0
>
> Energy minimization:
> maxcyc = 1000, ncyc = 500, ntmin = 1
> dx0 = 0.01000, drms = 0.00010
>
> | MPI Timing options:
> | profile_mpi = 0
>
> Unit 30 Error on OPEN: min1.rst
>
>
>
> With regards,
> Abinaya
>
>
>
>
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe, PhD
Postdoctoral Associate
BioMaPS Institute, Rutgers University
610 Taylor Road
Piscataway, NJ 08854
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Received on Fri Feb 03 2012 - 05:30:04 PST
