Re: [AMBER] AmberTools 1.4 parallel programs

From: Martin M. Ossowski <>
Date: Tue, 08 Feb 2011 15:21:58 -0600

David and All,

1) Is this correct to say then that both $Amberhome/bin and
$Amberhome/lib have to be installed (copied to executable tree
destination) for nab to work? Are there any other directories/files
in the install tree that have to copied to the executable tree

2) I assume that both serial and parallel Amber 11 programs can be
present in the the same $Amberhome/bin directory *regardless* of what
version (serial or parallel) of AmberTools has been most recently
built into this directory. I think these are independent. In fact I
build Amber 11 first and AmberTolls 1.4 second. Is this statement

Thank you,

Quoting David Case <>:

> On Feb 8, 2011, at 11:23 AM, "Martin M. Ossowski"
> <> wrote:
>> I am even more confused now since if the program is linked statically
>> it should not matter what its name or the libraries' it has been
>> linked against is.
> You may be forgetting that nab is a compiler. The default libraries
> that are searched are different in the serial and parallel version.
> The next release of AmberTools will make it easier to differentiate
> serial and parallel compilers (as in the distinction between "cc"
> and "mpicc".)
>> So I am wondering whether I can:
>> 1) Configure the parallel version (./configure -mpi), make, and install
>> 2) In the bin directory rename *binaries* nab and nab2c to nab.MPI and
>> nab2c.MPI
>> 3) Configure the serial version (./configure), make, and install -
>> this will ad serial nab and nab2c to the bin directory resulting in
>> having both serial and parallel versions of nab and nab2c.
> This probably will not work. Any user with sufficient experience
> and knowledge to need the parallel version should probably copy the
> code into his or her own area, and configure that version to meet
> their needs.
> ...dac

Martin M. Ossowski, PhD
Research Computing Support Group,IT - MS119
Rice University
P.O.Box 1892
Houston, TX 77251-1892
Phone: 713-348-2533
Fax: 713-348-6099
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Received on Tue Feb 08 2011 - 13:30:03 PST
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