[gmx-users] how to generate executable file "g_energy_mpi" ?

[Vinson Leung]

and how can I get those analysis tools?

On Thu, Oct 23, 2014 at 7:31 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 10/23/14 6:37 AM, Vinson Leung wrote:
>
>> Hi everyone.
>> I am new to Gromacs and have some question in the building part. I can
>> only
>> genarate "mdrun_mpi" when set the DGMX_BUILD_MDRUN_ONLY to ON and when I
>> set it to OFF, it can only produce "gmx_mpi" and "template" in the bin
>> directory. What is the different between "mdrun_mpi" and "gmx_mpi" ?
>> Another question, I want to produce .xvg file to do some analysis and have
>> to use  "g_energy_mpi" to read the .edr file, so how can I generate
>> "g_energy_mpi" ?
>> Thanks:)
>>
>>
> The only program that benefits from MPI is mdrun.  None of the analysis
> tools are parallelized via MPI.
>
> -Justin
>
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> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
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> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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