On 3/1/13 6:57 PM, Jack Howarth wrote:
> On Fri, Mar 01, 2013 at 01:51:25PM -0700, Alexander Hansen wrote:
>> On 3/1/13 9:42 AM, Valentina Erastova wrote:
>>>
>>> On 28 Feb 2013, at 20:41, Alexander Hansen <[email protected]> 
>>> wrote:
>>>
>>>> On 2/28/13 8:11 AM, Valentina Erastova wrote:
>>>>>
>>>>> On 28 Feb 2013, at 14:40, Alexander Hansen <[email protected]> 
>>>>> wrote:
>>>>>
>>>>>> On 2/27/13 5:14 AM, Valentina Erastova wrote:
>>>>>>> Hello,
>>>>>>>
>>>>>>> I am trying to install gromacs 4.6 on my mac and I am getting errors. I 
>>>>>>> have done self update and reduced number of jobs to 1, as recommended. 
>>>>>>> I still cannot make progress. The errors I get are:
>>>>>>>
>>>>>>>
>>>>>>> CMake Error at CMakeLists.txt:800 (message):
>>>>>>> Cannot compile AVX intrinsics.  Consider switching compiler.
>>>>>>>
>>>>>>>
>>>>>>> -- Configuring incomplete, errors occurred!
>>>>>>> ### execution of /tmp/fink.1WQn_ failed, exit code 1
>>>>>>> ### execution of /tmp/fink.K719v failed, exit code 1
>>>>>>>
>>>>>>>
>>>>>>> Thank you very much!
>>>>>>>
>>>>>>>
>>>>>
>>>>> Thank you for your reply! I have already manually installed it. 
>>>>> Nevertheless I am due to install it on another machine - both are OX 
>>>>> 10.8.2
>>>>>
>>>>>
>>>>
>>>> Hopefully today's update to gromacs will work for you, then.
>>>
>>> installs fine now!
>>>
>>>
>>>>
>>>>>>
>>>>>> Can you provide the line of output before your error message above, for
>>>>>> some context?
>>>>>>
>>>>>> What operating system version are you running?
>>>>>> What Xcode version are you using?  ("fink list xcode" is a quick way to
>>>>>> get that)
>>>>>
>>>>> Information about 7005 packages read in 1 seconds.
>>>>> i   xcode                    4.5.0.0.1.1249367  [virtual package 
>>>>> representing the developer tools]
>>>>> i   xcode.app                4.6-1              [virtual package 
>>>>> representing Xcode]
>>>>>
>>>>> Do you know if there is a double precision version too available via fink?
>>>>>
>>>>>>
>>>>>>
>>>>
>>>> You might want to update your Xcode command line tools (the Xcode
>>>> preferences has an option to do that).
>>>>
>>>> What exactly do you want a double precision version of?
>>>
>>> Gromacs.
>>>
>>> Seems it installs it automatically in the multi processor machine, but not 
>>> on my desktop. it's normally gromacs_d 
>>>
>>> Thank you for your help!
>>>
>>>>
>>
>> Ah.
> 
> This thread is very confusing. The user seems to have not synced his 
> Xcode.app and Command Line Tools for starters.
> As for double precision, the gromacs build for both gromacs.info and 
> gromacs-mpi.info can't complete without doing
> that. The cmake build is repeated twice (as is obvious by inspection of the 
> info files) with the default single
> precision and then double precision (with the latter binaries suffixed with 
> _d).
> 
>>
>> I would think that it _should_ be building the same way on both
>> machines.  That's probably something to discuss further with the gromacs
>> maintainer (cc'ed).
>>


Valentina, could you please clarify the situation you described above.
Can you provide the output of "dpkg -L gromacs" from the machine where
you say you don't have double precision executables?

-- 
Alexander Hansen, Ph.D.
Fink User Liaison
My package updates: http://finkakh.wordpress.com/

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