Re: namd on Altix

From: Gengbin Zheng (gzheng_at_ks.uiuc.edu)
Date: Mon Mar 07 2005 - 18:28:20 CST

Show us the what's in file namd2/arch/Linux-ia64-MPT-icc.arch
And your build command to compile charm and namd.

Gengbin Zheng wrote:

>
> Like I said, you need to modify CHARMARCH in
> namd2/arch/Linux-ia64-MPT-icc.arch
> assuming you configured namd using:
>
> ./config .... Linux-ia64-MPT-icc
>
> watch the actual compile command line to see if your change went through.
>
> Gengbin
>
> Michel Espinoza-Fonseca wrote:
>
>> It's me again. I modify the Make.charm file, and I still got an error
>> referring to charm++.h. It's so annoying, because I feel I'm doing
>> something wrong. Do you have another suggestion?
>> Michel
>>
>> -----Original Message-----
>> From: Gengbin Zheng [mailto:gzheng_at_ks.uiuc.edu] Sent: Monday, March
>> 07, 2005 2:23 PM
>> To: Michel Espinoza-Fonseca
>> Cc: namd-l_at_ks.uiuc.edu
>> Subject: Re: namd-l: namd on Altix
>>
>>
>> normally you just need root directory.
>> you don't need to sepcify the version directory, however, if there is
>> minor different,
>> modify the CHARMARCH in Linux-ia64-MPT-icc.arch for example.
>>
>> Gengbin
>>
>> Michel Espinoza-Fonseca wrote:
>>
>>
>>
>>> Hi again. I have another question. Do I have to set the root directory
>>>
>>
>> where charm is installed (for example, the unzipped directory of the
>> precompiled version)? I was trying to do this when compiling NAMD, but
>> it didn't work. Perhaps I'm doing something wrong.
>>
>>
>>> Sorry for the inconveniences.
>>> Cheers,
>>> Michel
>>>
>>>
>>> -----Original Message-----
>>> From: Gengbin Zheng [mailto:gzheng_at_ks.uiuc.edu]
>>> Sent: Mon 3/7/2005 1:39 PM
>>> To: Michel Espinoza-Fonseca
>>> Cc: namd-l_at_ks.uiuc.edu
>>> Subject: Re: namd-l: namd on Altix
>>>
>>>
>>> You can refer to the NAMD notes.txt on how to compile NAMD. For that
>>> error, you need to config NAMD Make.charm to tell NAMD where Charm
>>> is installed.
>>>
>>> Gengbin
>>>
>>> Michel Espinoza-Fonseca wrote:
>>>
>>>
>>>
>>>
>>>
>>>> Thank you for your reply. Actually I don't have any problem compiling
>>>> charm, but when I try to build NAMD, simply it doesn't work. I
>>>>
>>>
>> remember
>>
>>
>>>> that appears something like "charm++.h not found". So I don't know...
>>>> Michel
>>>>
>>>> -----Original Message-----
>>>> From: Gengbin Zheng [mailto:gzheng_at_ks.uiuc.edu] Sent: Monday, March
>>>> 07, 2005 1:34 PM
>>>> To: Michel Espinoza-Fonseca
>>>> Cc: namd-l_at_ks.uiuc.edu
>>>> Subject: Re: namd-l: namd on Altix
>>>>
>>>> Michel Espinoza-Fonseca wrote:
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>> Hi all,
>>>>>
>>>>> Does anybody have compiled NAMD on Altix (i64 proc.). I was trying to
>>>>>
>>>>
>>
>>
>>
>>>>> compile it, without success. It'll be very useful for me if
>>>>> somebody can provide the namd exe for this system.
>>>>>
>>>>> Thank you very much!
>>>>>
>>>>> Cheers,
>>>>>
>>>>> Michel
>>>>>
>>>>> L. Michel Espinoza-Fonseca
>>>>>
>>>>> BSBI, UMN
>>>>>
>>>>> mef_at_ddt.biochem.umn.edu
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>>
>>>> You can download the latest charm at:
>>>> http://charm.cs.uiuc.edu/autobuild/cur
>>>>
>>>> You can even try the pre-compiled version look for
>>>> mpi-linux-ia64-ifort-mpt-icc
>>>> <http://charm.cs.uiuc.edu/autobuild/cur/mpi-linux-ia64-ifort-mpt-icc.t
>>>>
>>>
>> xt
>>
>>
>>>> To compile charm, use:
>>>> ./build charm++ mpi-linux-ia64 mpt icc ifort
>>>>
>>>> Gengbin
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>
>>
>>
>>
>>
>>

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