[gmx-users] Installation Problem... No command 'gmx' found

[Md. Imrul Reza Shishir]

Thanks everyone. For your quick reply and support.

On Thu, Apr 21, 2016 at 10:37 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 4/21/16 9:35 AM, Sotirios Dionysios I. Papadatos wrote:
>
>> Hi, in my case gmx is only needed for certain commands. For example
>> pdb2gmx is working if I use it solo, not with gmx. It's worth a shot.
>>
>>
> This is true for versions in the 5.0.x series; they can be called via gmx
> or through the old syntax without it because the commands are all installed
> as links to gmx.  In 5.1.x this will not work; gmx/gmx_mpi (depending on
> the installation) is mandatory.
>
> -Justin
>
>
> ________________________________________
>> From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <
>> gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Email
>> Gmail Pribadi <hus3nr at gmail.com>
>> Sent: Thursday, April 21, 2016 9:18 AM
>> To: gmx-users at gromacs.org
>> Subject: Re: [gmx-users] Installation Problem... No command 'gmx' found
>>
>> Hi,
>>
>> Try gmx [command] . Ex. gmx mdrun -option
>>
>> Regards,
>>
>>
>> Husen
>>
>> On 21 Apr 2016, at 12.31, terrencesun at gmail.com wrote:
>>>
>>> Hi,
>>>
>>> Try gmx_mpi.
>>>
>>> Regards
>>> Terry
>>>
>>>
>>> On 21 Apr 2016, at 12:11 PM, Md. Imrul Reza Shishir <
>>>> imrul.reza.shishir at gmail.com> wrote:
>>>>
>>>> Dear all user
>>>>
>>>> I install gromacs in my laptop its perfectly ok. But i have problem to
>>>> install in my desktop there i face problem.
>>>> In my desktop i want to compile with cuda accelerator and MPI option. I
>>>> install successfully openmpi-1.10.2 and cuda-7.5 with nvidia driver. all
>>>> this driver is ok.
>>>>
>>>> For gromacs i run this installation command.
>>>>
>>>> tar -xzvf gromacs-5.1.2.tar.gz
>>>> cd gromacs-5.1.2.tar.gz
>>>> mkdir build
>>>> cd build
>>>> CMAKE <gromacs-5.1.2 file location > -DGMX_BUILD_OWN_FFTW=on
>>>> -DGMX_GPU=on
>>>> -DGMX_MPI=on -DREGRESSIONTEST_DOWNLOAD=on
>>>> make -j16
>>>> make check
>>>> sudo make install -j16
>>>>
>>>> source /usr/local/gromacs/bin/GMXRC
>>>>
>>>> In the installation procedure i dont find any error. All 26 test
>>>> completed
>>>> without error.
>>>>
>>>> But when i try to run "gmx or gmx help"
>>>>
>>>> There is error no command gmx found. I need your guidance.
>>>>
>>>> Best Regards
>>>>
>>>> --
>>>> *Md Imrul Reza Shishir*
>>>> --
>>>> 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 629
> 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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>
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-- 
*Md Imrul Reza Shishir*
Master Student
*Inha University*
*CRC for NanoCellulose Future Composites*
36 Getbeol-ro, Yeonsu-gu
Incheon 21999
South Korea