AMBER Archive (2008)

Subject: Re: AMBER: NMA

From: David A. Case (case_at_scripps.edu)
Date: Fri Jul 11 2008 - 13:19:06 CDT

On Fri, Jul 11, 2008, Steve Seibold wrote:

> "PGFIO-F-228/namelist read/unit=5/end of file reached without finding group.
> File name = nmode_min.in formatted, sequential access record = 17
> In source file _rdinp.f, at line number 112"

Of course, you can/should look at line 112 in the file listed, which will
probably give you a good idea of what is going on.

>
>
> My input file is:
> &data
^^^^ strictly, you should have a space in column 1 here. Also, doesn't the
input require a title card before the namelist input?

> ntrun=4,
> nsave=2,
> ndiag=2,
> cut=95,
> nprint=100,
> drms=0.00001,
> maxcyc=100,
> bdwnhl=0.01,
> dfpred=0.1,
> scnb=2.0,
> scee=2.0,
> nvect=200,
> ntxo=0,
> %end
^^^^^^ This needs to be either "&end" (old style) or "/" (better, new
style). Using a "%end" is unlikely to be recognized. Again, some compilers
would also require a blank in column 1.

...dac

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