User:Dennisvd@nikhef.nl/VASP

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Revision as of 10:15, 27 September 2013 by Dennisvd@nikhef.nl (talk | contribs) (Created page with "= Compiling Openmpi on stoomboot = * Make sure the settings for the Intel compiler are correct. I've added this snippet to my <code>.bash_profile</code>: if [ -f /opt/intel/...")
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Compiling Openmpi on stoomboot

  • Make sure the settings for the Intel compiler are correct. I've added this snippet to my .bash_profile:
if [ -f /opt/intel/composer_xe_2013.5.192/bin/compilervars.sh ]; then
    . /opt/intel/composer_xe_2013.5.192/bin/compilervars.sh intel64
fi

wget http://www.open-mpi.org/software/ompi/v1.6/downloads/openmpi-1.6.5.tar.bz2
  • Unpack and configure
tar xfj openmpi-1.6.5.tar.bz2
cd openmpi-1.6.5
mkdir build
cd build
../configure --prefix=/project/detrd/vasp/openmpi-1.6.5 CC=icc CXX=icpc F77=ifort FC=ifort
  • Build and deploy
make all
make install

Note: I'm not sure if openmpi still depends on torque-devel for tm.h. I've installed torque-devel on stbc-i1.

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