[gmx-developers] Fix for 2 small problems in the cmake for gmx 4.5.5

Mark Abraham Mark.Abraham at anu.edu.au
Thu Mar 1 23:19:21 CET 2012

On 2/03/2012 9:16 AM, Mark Abraham wrote:
> On 2/03/2012 7:45 AM, Szilárd Páll wrote:
>> On Thu, Mar 1, 2012 at 9:23 PM, Ake 
>> Sandgren<ake.sandgren at hpc2n.umu.se>  wrote:
>>> On Thu, 2012-03-01 at 18:17 +0100, Szilárd Páll wrote:
>>>> Hi,
>>>> Regarding the linking fix, I think we do not always need Fortran,
>>>> Gromacs compiles just fine without a Fortran compiler on X86_64. On
>>>> what platform/compiler did you have linking issues? I suspect that the
>>>> fix might not work in case if there is no Fortran compiler available.
>>> Ubuntu Linux using intel compiler.
>>> As soon as there is a fortran source file built and then included in 
>>> the
>>> gmxlib you would most likely need it to build the shared lib with the
>>> fortran compiler instead of the C compiler. It's far more easy to do it
>>> that way then figuring out what the fortran runtime lib might be for
>>> what ever fortran compiler have been used and then explicitly add that
>>> at shared lib creation time.
>>> So whenever the fortran kernels are used for whatever reason...
>>> I'll see if i can come up with a better fix...
>> Right, but as far as I know we only have Fortran kernels for IBM BG
>> and I don't know of any other Fortran code. However, someone else
>> shoud pitch in here because I might as well be wrong. Devs, anyone?
> For the record, Fortran kernels are used on Power6, and not on BlueGene.

That should be "kernels written in Fortran are used on Power6, and 
BlueGene kernels are written in (specialized) C." AFAIK the generic 
Fortran kernels are useful nowhere.


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