[gmx-users] Reg LAM version to use

[Yang Ye]

hi, raja

Using MPI alone won't give you performance boost unless you have a 
cluster connected. LAM is just an interface for parallel program. It is 
best that you could find a Linux machine (make your windows box a linux 
one?). Any way, let me see how I could help you in compiling gromacs on 
SGI. Would you like to try the lastest 3.3.1? I will be ready to see 
your post on the list.

Yang Ye

raja wrote:
> Dear Mr.Yang Ye,
>
> Thanks for your reply and suggestion. I am really felt sorry for hurting
> you.
> I am aware of your hard work and continuous patronage of all users
> through this mailing list.  Experts like you being there is absolutely
> necessary for peoples like me to master in this tool. 
>
> Once again I put forward my real problem. As I want to run MD for the
> protein of many variant types (mutant models) , It is absolutely needed
> a high performance , I do have SGI machine but I am unable to compile in
> it. Regarding which I posted a week back in mailing list
> (http://www.gromacs.org/pipermail/gmx-users/2006-April/020969.html)
> still this is unanswered. So now I am planning for MPI option in windows
> (Cygwin). 
>
> I request you that if you cannot provide solution for my compilation
> problem in SGI, kindly provide me the executables of GROMACS3.3.1 or
> GROMACS3.3 for SGI IRIX6.5.
>
>
> With thanks!
> B.Nataraj
>
>
>
>
>
> On Sat, 15 Apr 2006 15:28:51 +0800, "Yang Ye"
> <leafyoung81-group at yahoo.com> said:
>   
>> raja wrote:
>>     
>>> Dear Mr.Yang Ye,
>>>      I asked this question since I want to save some time, and use those
>>>      time for my real research in gromacs. 
>>> I already installed the latest version of LAM in cygwin. I am having
>>> problem in lambooting , which I am trying to resolve using LAM user
>>> list. In that juncture I dont want to have version incompatiability with
>>> gromacs3.3.1 when everything get smooth with LAM.
>>>
>>> You see, I am dedicating more time for these installation and
>>> configuring issues rather than really doing any research in my MD.
>>> Please give me proper answer.
>>>   
>>>       
>> Hi, Raja
>>
>> If you would like to mention about "time", sorry to say that your mail 
>> is "wasting" many people's time on this list. We are just offering our 
>> advices with the limit of our experience.
>>
>> If the mail is about something we did before, we are kind to answer it. 
>> If the mail is about some thing we never tried, we may spend time in 
>> paying our time and resources in looking it up. This is how many mailing 
>> list works. The mailing list relies on everyone's input from his 
>> experience. If you go ahead to try LAM on cygwin with GROMACS, you are 
>> most welcomed to contribute your experience here.
>>
>> Also, research work is not only about getting the result. System 
>> building is also part of the training. The different proportion of 
>> "Introduction", "Methodology", "Results" in a paper is a good indicator 
>> for the work you shall allocate.
>>
>> To con't from my last mail, I would like to add this: GROMACS is not 
>> sensitive to LAM version while LAM on cygwin is another story.
>>
>> Yang Ye
>>
>>     
>>> With regards ,
>>> B.Nataraj
>>>
>>>
>>>
>>>
>>> On Sat, 15 Apr 2006 14:09:10 +0800, "Yang Ye"
>>> <leafyoung81-group at yahoo.com> said:
>>>   
>>>       
>>>> raja wrote:
>>>>     
>>>>         
>>>>> Hi All,
>>>>>     In GROMACS website, it is explicitly stated that LAM-7.0.6-5 as the
>>>>>     version for MPI option. Should I stick on the version of lam stated
>>>>>     in gromacs webpage or can I use the latest version of LAM-7.1.2.
>>>>>     Will it make any difference for MPI enabled gromacs-3.3.1 ?
>>>>>
>>>>> With thanks!
>>>>> B.Nataraj
>>>>>   
>>>>>       
>>>>>           
>>>> try and you know.
>>>>
>>>> Yang Ye
>>>>
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>>>>         
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