[gmx-users] gromacs 4.0 -np parameter?
Justin A. Lemkul
jalemkul at vt.edu
Sat Nov 29 03:40:15 CET 2008
SLIM H.A. wrote:
> Justin,
>
> Thanks, I am not familiar with gromacs, where could I find specific
> information about the differences between 4.0 and earlier versions.
>
The manual and the -h flag of every command work pretty well, along with release
notes:
http://www.gromacs.org/content/view/181/132/
and revision history:
http://www.gromacs.org/content/category/4/58/132/
All of the above can be found in the "Documentation" section of the Gromacs website.
-Justin
> Thanks again
>
> Henk
>
>> -----Original Message-----
>> From: gmx-users-bounces at gromacs.org
>> [mailto:gmx-users-bounces at gromacs.org] On Behalf Of Justin A. Lemkul
>> Sent: 28 November 2008 18:18
>> To: Discussion list for GROMACS users
>> Subject: Re: [gmx-users] gromacs 4.0 -np parameter?
>>
>>
>>
>> SLIM H.A. wrote:
>>> I have recenly built gromacs 4.0 using MPI, however grompp
>> -h does not
>>> include a -np option. Does this indicate that it actually was not
>>> built for multiprocessor use?
>>>
>> No, it is simply not necessary to pre-process with -np anymore.
>>
>> -Justin
>>
>>> Thanks
>>>
>>> Henk Slim
>>> _______________________________________________
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>> --
>> ========================================
>>
>> Justin A. Lemkul
>> Graduate Research Assistant
>> Department of Biochemistry
>> Virginia Tech
>> Blacksburg, VA
>> jalemkul[at]vt.edu | (540) 231-9080
>> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>>
>> ========================================
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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