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

Szilárd Páll szilard.pall at cbr.su.se
Fri Mar 2 00:55:07 CET 2012

On Thu, Mar 1, 2012 at 11:19 PM, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:
> 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.

Thanks Mark for the clarification, I was confusing the kernels for
Power6 and BlueGene.


> Mark
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