[gmx-users] with 5.0: file INSTALL cannot find gmx

[Jochen Hub]

Am 12/12/14 19:40, schrieb Johnny Lu:
> Oh, and what version of cmake are you using?
> 
> If that is too old, you can compile a newer version of cmake and then use
> that.

Hey, that was a good hint!! I used 2.8.12.2 before. I just gave it a try
with the latest 3.02 - and it worked! So many thanks.

Mark, maybe it would be good to suggest a more recent cmake version in
general for Gromacs?

Best,
Jochen



> 
> On Fri, Dec 12, 2014 at 1:35 PM, Johnny Lu <johnny.lu128 at gmail.com> wrote:
>>
>> maybe ... compile it on the head node of the cluster, and hope it has a
>> local storage?
>>
>> fftpack is slow, and let gromacs build its own fftw3 library is better. I
>> don't know if the fftpack code of gromacs is old.
>>
>> May be
>>
>> Location of where you run cmake/CMakeFiles/CMakeError.log
>>
>> will tell a bit more.
>>
>>
>> On Fri, Dec 12, 2014 at 1:24 PM, Jochen Hub <jhub at gwdg.de> wrote:
>>>
>>>
>>>
>>> Am 12/12/14 19:07, schrieb Mark Abraham:
>>>> Hi,
>>>>
>>>> I have seen similar behaviour on "interesting" setups, e.g. where the
>>> same
>>>> physical file system has different logical locations, but I don't know
>>>> where the issue is. $(pwd) should be expanded by the shell before cmake
>>>> sees it, so how a wrong path could get into cmake_install.cmake is a
>>>> mystery to me.
>>>
>>> This may in fact be the issue. Our computing center has some extra-fancy
>>> distributed file system. And the webserver we are running is a on a
>>> virtual machine, so also some kind of distributed thingie...
>>>
>>> Hmpf - so is there no solution for that?
>>>
>>> Jochen
>>>
>>>>
>>>> Mark
>>>>
>>>> On Fri, Dec 12, 2014 at 6:33 PM, Johnny Lu <johnny.lu128 at gmail.com>
>>> wrote:
>>>>>
>>>>> I'm not sure what happened, but so far when i install, i use full path
>>>>> instead of $(pwd) and it was fine for gromacs 4.6 and 5.0, 5.0.2.
>>>>> --
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>>> --
>>> ---------------------------------------------------
>>> Dr. Jochen Hub
>>> Computational Molecular Biophysics Group
>>> Institute for Microbiology and Genetics
>>> Georg-August-University of Göttingen
>>> Justus-von-Liebig-Weg 11, 37077 Göttingen, Germany.
>>> Phone: +49-551-39-14189
>>> http://cmb.bio.uni-goettingen.de/
>>> ---------------------------------------------------
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>>

-- 
---------------------------------------------------
Dr. Jochen Hub
Computational Molecular Biophysics Group
Institute for Microbiology and Genetics
Georg-August-University of Göttingen
Justus-von-Liebig-Weg 11, 37077 Göttingen, Germany.
Phone: +49-551-39-14189
http://cmb.bio.uni-goettingen.de/
---------------------------------------------------