AMBER Archive (2009)

Subject: [AMBER] compiling amber10 with mac intel, ifort/icc and mpi

From: Alan (alanwilter_at_gmail.com)
Date: Wed Jun 10 2009 - 09:47:00 CDT


Hi There,
I checked the mailing list and so I got "make serial" to work.

I did:

cd $AMBERHOME/..

tar xvfj Amber10.tar.bz2

cd $AMBERHOME

wget -c http://ambermd.org/bugfixes/10.0/bugfix.all

mv -f bugfix.all bugfixAmber.all

patch -p0 -N < bugfixAmber.all

cd src/

./configure_amber -nosanderidc ifort_macosx

make -j 2 serial

= It's OK = Sander works fine

Now I am trying to find a combination that would allow me to have sander.mpi
('make parallel').

I am using a mac intel (old macbook pro 32 bit only), with Fink (openmpi)
and intel compilers.

Does anyone have a suggestion of how to do this? I have tried:

make clean

./configure_amber -mpi ifort_macosx

make -j 2 parallel

for no avail.

Many thanks in advance.

Alan

-- 
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>http://www.bio.cam.ac.uk/~awd28<<
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