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

[Justin Lemkul]

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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>>>>
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>>>>
>>>
>>>
>>>
>>> --
>>> Thanks & Regards,
>>> Pavan Kumar
>>> Project Engineer
>>> CDAC -KP
>>> Ph +91-7676367646
>>> --
>>> Gromacs Users mailing list
>>>
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>>>
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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

==================================================