Ross,
Sorry, but you are incorrect. The comma was in the bugfix...
Regards - Bob
----- Original Message -----
From: "Ross Walker" <ross.rosswalker.co.uk>
To: "'AMBER Mailing List'" <amber.ambermd.org>
Sent: Friday, April 16, 2010 11:48 AM
Subject: RE: [AMBER] PMEMD missing type? - bugfix
> Hi Josh,
>
>> Anyway, the bug in question is where recent versions of ifc (11.1 in my
>> case) refuse to compile what the devs insist is perfect fortran, giving
>> the
>> error message:
>>
>> pme_setup.f90(415): error #6404: This name does not have a type, and
>> must
>> have an explicit type. [NATOM]
>> do n = 1, natom
>
> I came across this one a few weeks ago in the AMBER 11 development tree
> and
> addressed it in there. I forgot to make a patch for AMBER 10 though. I'll
> do
> this. Thanks for reporting it.
>
>> And also:
>>
>> in prmtop_dat.fpp:
>>
>> gbl_dihed_allocsize, next_mult_fac & !26
>> nub, nubtypes, & !28
>>
>> to:
>>
>> gbl_dihed_allocsize, next_mult_fac, & !26
>> nub, nubtypes, & !28
>>
>> inserting a single comma.
>
> This was introduced by bugfix.31:
>
> ********>Bugfix 31:
> Prepared by: Bob Duke
> Date: 2/6/2010
>
> Programs: pmemd
>
> Description: Some systems, such as from the extra points versions of
> GLYCAM,
> have more "extra points" than was allowed for in the original
> code.
>
> Usage: Apply the following patch in $AMBERHOME/src/pmemd/src/
>
> - gbl_dihed_allocsize, &
> !26
> + gbl_dihed_allocsize, next_mult_fac &
> !26
> nub, nubtypes, &
> !28
>
> I'm not sure how this ever managed to compile since it certainly isn't
> valid
> Fortran. I'll add this fix to the bugfix that addresses the ifort issue.
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
>
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Received on Fri Apr 16 2010 - 09:00:05 PDT
