AMBER: Compile openmpi

From: Francesco Pietra <>
Date: Thu, 14 Jun 2007 10:11:02 -0700 (PDT)

A few days ago I submitted the question whether in
compiling openmpi for amber9 (dual opteron machine
with Linux Debian amd64 etch) with intel compilers I
should take into account that intel compilers are
already providing runtime to a QM code (NWChem 5.0
which has its own - not MPI - parallelization). No
answer was taken for "no risk".

The runtime shows the location of intel:


Now I have started trying to install a MPI library:

cd /usr/local
tar xvf openmpi-1.2.1.tar
cd /usr/local/openmpi-1.2.1
export FC=/opt/intelcce/9.1.042/bin/icc

I did nothing more because

set | grep FC

reported nothing (I expected the environment variable
FC), while

set |grep PWD

reports the following:


Now "setenv"



Unfortunately I did not check setenv before the above

The command "locate" reports located as
above, before trying to install the MPI library.
Therefore, I assume that the correct runtime is still
provided to the QM code. Though, I am confused by the
above "reports" and would be grateful for your advice
before risking to mess my system.


francesco pietra

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Received on Sun Jun 17 2007 - 06:07:24 PDT
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