RE: namd on Altix

From: Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Mon Mar 07 2005 - 15:00:02 CST

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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