[gmx-users] Guidance on how to install Gromacs-5.0-beta2

[Yogendra Ramtirtha]

Actually, I used the build directory which was created earlier.
Should I create a new build directory all over again ?
Can you please guide me.
Thanks


On Sat, Feb 22, 2014 at 12:12 AM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 2/21/14, 1:29 PM, Yogendra Ramtirtha wrote:
>
>> Hello,
>> Sorry to disturb you but can you please elaborate, since I tried the
>> modified command but still it gives similar error as before.
>>
>>
>>
> Did you start from a clean build directory?
>
> -Justin
>
>
>  On Fri, Feb 21, 2014 at 10:49 PM, Yogendra Ramtirtha <
>> ramtirtha.yogendra at gmail.com> wrote:
>>
>>  Thanks a lot I will try and let you know.
>>>
>>>
>>> On Fri, Feb 21, 2014 at 4:46 PM, Pavan Kumar <kumar.pavan006 at gmail.com>
>>> wrote:
>>>
>>>  Hello Yogendra,
>>>>
>>>> Remove "-DGMX_BUILD_OWN_FFTW=ON" argument and add
>>>> "CMAKE_PREFIX_PATH=/path/to/fftw"
>>>>
>>>> I hope it works
>>>>
>>>>
>>>> On Fri, Feb 21, 2014 at 4:31 PM, Yogendra Ramtirtha <
>>>> ramtirtha.yogendra at gmail.com> wrote:
>>>>
>>>>  Hello,
>>>>> Actually, I am trying to install Gromacs-5.0-beta2 on my systemwhich
>>>>> has
>>>>> Ubuntu 12.04.
>>>>> Everything went fine untill the make command which gives me the
>>>>>
>>>> following
>>>>
>>>>> error -
>>>>>
>>>>> ( [  0%] Performing download step (verify and extract) for 'fftwBuild'
>>>>> -- verifying file...
>>>>>       file='http:/www.fftw.org/fftw-3.3.3.tar.gz'
>>>>> -- verifying file... warning: did not verify file - no URL_HASH
>>>>>
>>>> specified?
>>>>
>>>>> -- extracting...
>>>>>
>>>>>
>>>>>
>>>>>    src='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/
>>>> contrib/fftw/fftwBuild-prefix/src/http:/
>>>>
>>>>> www.fftw.org/fftw-3.3.3.tar.gz'
>>>>>
>>>>>
>>>>>
>>>>>    dst='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/
>>>> contrib/fftw/fftwBuild-prefix/src/fftwBuild'
>>>>
>>>>> CMake Error at fftwBuild-stamp/extract-fftwBuild.cmake:11 (message):
>>>>>    error: file to extract does not exist:
>>>>>
>>>>>
>>>>>
>>>>>  '/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/
>>>> contrib/fftw/fftwBuild-prefix/src/http:/
>>>>
>>>>> www.fftw.org/fftw-3.3.3.tar.gz'
>>>>>
>>>>>
>>>>> make[2]: ***
>>>>>
>>>>>  [src/contrib/fftw/fftwBuild-prefix/src/fftwBuild-stamp/
>>>> fftwBuild-download]
>>>>
>>>>> Error 1
>>>>> make[1]: *** [src/contrib/fftw/CMakeFiles/fftwBuild.dir/all] Error 2
>>>>> make: *** [all] Error 2 )
>>>>>
>>>>> To deal with this error, I manually installed fftw-3.3.3 on my desktop
>>>>>
>>>> but
>>>>
>>>>> the major hurdle now is that I don't know how to proceed with Gromacs
>>>>> installation.
>>>>> Please can anyone guide me, I need help as Gromacs is a part of my
>>>>>
>>>> academic
>>>>
>>>>> work. ( I am a graduate student of biotechnology. )
>>>>> --
>>>>> Gromacs Users mailing list
>>>>>
>>>>> * Please search the archive at
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>>>>> posting!
>>>>>
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>>>>>
>>>>>
>>>>
>>>>
>>>> --
>>>> Thanks & Regards,
>>>> Pavan Kumar
>>>> Project Engineer
>>>> CDAC -KP
>>>> Ph +91-7676367646
>>>> --
>>>> Gromacs Users mailing list
>>>>
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>>>>
>>>
>>>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 601
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
>
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