Re: namd on Altix

From: Gengbin Zheng (gzheng_at_ks.uiuc.edu)
Date: Mon Mar 07 2005 - 15:03:07 CST

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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>>
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>>
>
>
>
>
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