AMBER: Fw: Installing PMEMD on IBM machine (CPU power4) running SUSE_9.1

From: Robert Duke <>
Date: Tue, 24 May 2005 10:42:15 -0400

Folks -
Prabal Maiti sent me a question regarding installing pmemd on sp4/linux. I
am posting my response to the list because my reply to the sender's address
bounced back to me as undeliverable...
Regards - Bob Duke

----- Original Message -----
From: "Robert Duke" <>
To: "Prabal K. Maiti" <>
Sent: Tuesday, May 24, 2005 10:37 AM
Subject: Re: Installing PMEMD on IBM machine (CPU power4) running SUSE_9.1

> Prabal -
> The way to do this is:
> 1) build a config.h for ibm aix sp4; save it under some different name.
> 2) build a config file for pentium 4 linux with mpich, answering the
> questions about where mpich is installed; just lie if you are asked about
> where ifort is (assuming you are running the new_configure stuff from the
> pmemd configuration update tarball dated march on the
> website).
> Now merge the two, taking compiler info from the aix sp4 config file, and
> mpi information from the pentium 4 linux with mpich config file.
> With the new_configure structure, it is actually very easy to add support
> for a new platform with mpich, since the transport information is now in
> separate config_data files, but I have not made a big point of getting
> folks up to speed on that; it is generally just easier for a user to hack
> something together than creating infrastructure for others (ie., with the
> appropriate pwr4 linux file you could easily configure any of the
> different generic mpi implementations supported for pentium 4 linux).
> The reason you don't have support out there for your exact machine config
> is I don't have access to your exact machine config. I publish configs
> for stuff that I can confirm works.
> Regards - Bob
> ----- Original Message -----
> From: "Prabal K. Maiti" <>
> To: <>
> Sent: Tuesday, May 24, 2005 9:28 AM
> Subject: Installing PMEMD on IBM machine (CPU power4) running SUSE_9.1
>> Hi,
>> I am trying to install pmemd on IBM machine (CPU power4) running SUSE_9.1
>> Linux. The fortran compiler isIBM XLF compiler. MPICH is installed.
>> But in the configure file I dont see any option for this. I tried few
>> combination like ./configure aix_spx xlf90 -mpich
>> But it didnt work. Is it supported on this platform. If yes, can you
>> please write me how to do it or point me to a appropiate location. In the
>> AMBER mail archive I didint come accross any email discussing this/
>> Thanks and regards
>> Prabal
>> --
>> ------------------------------------------------------------------------
>> Prabal K Maiti
>> Deparment of Physics
>> Indian Institute of Science Tel:091-80-2293-2865 (O)
>> Bangalore, 560012 :091-80-2351-7862 (H)
>> India
>> Fax:091-80-2360-2602
>> ------------------------------------------------------------------------

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Tue May 24 2005 - 15:53:00 PDT
Custom Search