A. On BlueWaters at UIUC
1. module load PrgEnv-intel
unload other PrgEnv-** if necessary before loading intel.
Don't use external fftw (module unload fftw), or else system will yield errors with fftw linking.
1 ./configure --prefix=`pwd` --enable-openmp --enable-parallel --with-scalapack --with-hdf5 ARCH=crayxt 2 make -j32 all 3 make -j32 ph
B. On Cades at ORNL
1. module load PE-intel, openmpi, mpich, mkl, fftw
2. ./configure --prefix=$Home/softwares/qe-6.0/build/
3. make -j32 all
Loaded modules:
Currently Loaded Modulefiles:
1) env/cades-virtues
2) python/2.7-anaconda
3) openmpi/1.10.3
4) xalt/0.7.5
5) PE-intel/1.0
6) mkl/2017
7) compilers/intel/2016.1
8) mpi/openmpi/intel/1.10.2
9) env/intel
10) compilers/intel/2017.0
11) scalapack/2.0.2
12) utils/intel/mkl/2016.1
13) magma/1.7.0
14) /software/tools/spack/share/spack/modules/linux-x86_64/openmpi@1.10.2%gcc@5.3.0~psm~tm+verbs-fy4q27s
15) fftw/3.3.4
New compilation on Oct, 2017:
Currently Loaded Modulefiles: 1) env/cades-virtues 5) xalt/0.7.5 2) gcc/5.3.0 6) hdf5/1.8.17 3) openmpi/2.1.1 7) mkl/2017 4) PE-gnu/2.0 8) fftw/3.3.5
1 ./configure --prefix=`pwd` --enable-openmp --enable-parallel --with-scalapack --with-hdf5 2 make -j32 all 3 make -j32 ph
C. On Titan at ORNL
Currently Loaded Modulefiles: 1) eswrap/1.3.3-1.020200.1278.0 2) craype-network-gemini 3) gcc/4.9.3 4) craype/2.5.9 5) cray-mpich/7.5.2 6) craype-interlagos 7) lustredu/1.4 8) xalt/0.7.5 9) module_msg/0.1 10) modulator/1.2.0 11) hsi/5.0.2.p1 12) DefApps 13) cray-libsci/16.11.1 14) udreg/2.3.2-1.0502.10518.2.17.gem 15) ugni/6.0-1.0502.10863.8.28.gem 16) pmi/5.0.12 17) dmapp/7.0.1-1.0502.11080.8.74.gem 18) gni-headers/4.0-1.0502.10859.7.8.gem 19) xpmem/0.1-2.0502.64982.5.3.gem 20) dvs/2.5_0.9.0-1.0502.2188.1.113.gem 21) alps/5.2.4-2.0502.9774.31.12.gem 22) rca/1.0.0-2.0502.60530.1.63.gem 23) atp/2.0.5 24) PrgEnv-gnu/5.2.82 25) cmake/2.8.11.2
Compiling commands:
1 ./configure --prefix=`pwd` --enable-openmp --enable-parallel --with-scalapack --with-hdf5 ARCH=crayxt 2 make -j32 all 3 make -j32 ph