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

[Justin Lemkul]

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*
>>> --
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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

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