@@ -661,28 +661,29 @@ Installing on Ubuntu Linux or other apt-get--based distributions
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662662
663663The following is designed to obtain a working QMCPACK build on, for example, a
664- student laptop, starting from a basic Linux installation with none of
665- the developer tools installed. Fortunately, all the required packages
666- are available in the default repositories making for a quick
667- installation. Note that for convenience we use a generic BLAS. For
668- production, a platform-optimized BLAS should be used.
669-
664+ student laptop, starting from a basic Linux installation with none of the
665+ developer tools installed. Fortunately, all the required packages are available
666+ in the default repositories making for a quick installation. Note that for
667+ convenience we use a generic BLAS. A vendor-optimized BLAS is usually faster.
670668
671669::
672670
673671 sudo apt-get install cmake g++ openmpi-bin libopenmpi-dev libboost-dev
674- sudo apt-get install libatlas-base-dev liblapack-dev libhdf5-dev libxml2-dev fftw3-dev
675- export CXX=mpiCC
672+ sudo apt-get install libopenblas-openmp-dev libhdf5-dev libxml2-dev libfftw3-dev
673+ # For qmca and other python-based analysis tools tools:
674+ sudo apt-get install python3-numpy python3-scipy python3-h5py python3-matplotlib
676675 cd build
677- cmake ..
678- make -j 8
676+ cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpiCC ..
677+ make -j 8 # Adjust to available core count
679678 ls -l bin/qmcpack
680679
681- For qmca and other tools to function, we install some Python libraries:
680+ We recommend running the deterministic test set. Since by default OpenMPI will not
681+ allow processes to use more than the available number of cores, set `export OMPI_MCA_rmaps_base_oversubscribe=true `:
682682
683683::
684-
685- sudo apt-get install python-numpy python-matplotlib
684+ export OMPI_MCA_rmaps_base_oversubscribe=true
685+ time ctest -j 16 -L deterministic --output-on-failure
686+
686687
687688Installing on CentOS Linux or other yum-based distributions
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