Re: [AMBER-Developers] Current git build tree broken by RISM.

From: Jason Swails <jason.swails.gmail.com>
Date: Sat, 21 Jul 2012 07:28:30 -0400

Allocatables are not allowed in namelists. Tried that one awhile ago :)

--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
On Jul 21, 2012, at 1:36 AM, "Ross Walker" <ross.rosswalker.co.uk> wrote:
> As of 07/20/2012 - 10:32pm PDT.
> 
> ./configure gnu
> 
> gnu 4.4.6-4 (RHEL 6)
> 
> 
> 
> amber_rism_interface.F90:1969.14:
> 
>       closure, closureOrder,&
>              1
> Error: NAMELIST attribute conflicts with POINTER attribute in 'closure' at
> (1)
> amber_rism_interface.F90:2027.25:
> 
>  read(mdin_unit,nml=rism)
>                         1
> Error: Symbol 'rism' at (1) must be a NAMELIST group name
> make[3]: *** [amber_rism_interface.NAB.o] Error 1
> make[3]: Leaving directory
> `/server-home/rcw/cvs_checkouts/amber.git/amber/AmberTools/src/rism'
> make[2]: *** [../rism/amber_rism_interface.NAB.o] Error 2
> make[2]: Leaving directory
> `/server-home/rcw/cvs_checkouts/amber.git/amber/AmberTools/src/sff'
> make[1]: *** [serial] Error 2
> make[1]: Leaving directory
> `/server-home/rcw/cvs_checkouts/amber.git/amber/AmberTools/src'
> make: *** [install] Error 2
> 
> I tried to figure this out but 'closure' is a pointer to a bunch of
> character arrays from what I can tell and it is a little difficult to figure
> out what is expected to be read from the namelist. I am not sure Fortran 95
> permits the use of pointers in namelists. This probably needs to be read
> into an allocatable array and then copied over to the pointer array
> manually.
> 
> All the best
> Ross
> 
> /\
> \/
> |\oss Walker
> 
> ---------------------------------------------------------
> |             Assistant Research Professor              |
> |            San Diego Supercomputer Center             |
> |             Adjunct Assistant Professor               |
> |         Dept. of Chemistry and Biochemistry           |
> |          University of California San Diego           |
> |                     NVIDIA Fellow                     |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk  | 
> ---------------------------------------------------------
> 
> Note: Electronic Mail is not secure, has no guarantee of delivery, may not
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> 
> 
> 
> 
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Received on Sat Jul 21 2012 - 04:30:03 PDT
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