Commit 43e2fc66 authored by Marco Govoni's avatar Marco Govoni
Browse files

Updated documentation

parent 5e0f6caa
......@@ -26,7 +26,7 @@ It's now time to create the ``pw.x``, ``wstat.x``, ``wfreq.x``, and ``westpp.x``
$ cd QEdir
$ make pw
$ cd QEdir/West
$ make
$ make PYT=python3
You have succefully installed QuantumEspresso and WEST if you see the executables ``pw.x``, ``wstat.x``, ``wfreq.x``, and ``westpp.x`` created in the QEdir/bin directory.
......
......@@ -38,8 +38,9 @@ WEST executables can be compiled using the following script:
export LAPACK_LIBS=${MY_LIB_PATH}/LAPACK/liblapack.a
export SCALAPACK_LIBS=${MY_LIB_PATH}/SCALAPACK/libscalapack.a
export FFT_LIBS="${MY_LIB_PATH}/FFTW3/lib/libfftw3.a ${MY_LIB_PATH}/FFTW3/lib/libfftw3_omp.a"
./configure --with-scalapack --enable-openmp LD_LIBS="`python3-config --ldflags`"
export PYT=python3
./configure --with-scalapack --enable-openmp LD_LIBS="`${PYT}-config --ldflags`"
make -j 4 pw
......
......@@ -33,8 +33,9 @@ WEST executables can be compiled using the following script:
export LAPACK_LIBS_SWITCH="external"
export LAPACK_LIBS=" "
export SCALAPACK_LIBS=" -lmkl_scalapack_lp64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_intelmpi_lp64 -Wl,--end-group"
export PYT=python3
./configure --enable-parallel --with-scalapack --enable-openmp LD_LIBS="`python3-config --ldflags`"
./configure --enable-parallel --with-scalapack --enable-openmp LD_LIBS="`${PYT}-config --ldflags`"
make -j 6 pw
cd West
......
......@@ -26,8 +26,9 @@ WEST executables can be compiled using the following script:
export LD_LIBRARY_PATH=$MKLROOT/lib/intel64:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH=/opt/intel/compilers_and_libraries_2018.0.128/linux/compiler/lib/intel64:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH=/opt/python/3.6.5.3/lib:$LD_LIBRARY_PATH
export PYT=python3
./configure MPIF90=ftn CC=cc CXX=CC --enable-openmp=yes --enable-parallel=yes --enable-shared=yes --with-scalapack=intel SCALAPACK_LIBS="${MKLROOT}/lib/intel64/libmkl_scalapack_lp64.so -Wl,--start-group ${MKLROOT}/lib/intel64/libmkl_intel_lp64.so ${MKLROOT}/lib/intel64/libmkl_intel_thread.so ${MKLROOT}/lib/intel64/libmkl_core.so ${MKLROOT}/lib/intel64/libmkl_blacs_intelmpi_lp64.so -Wl,--end-group" FFLAGS=" -xMIC-AVX512 -qopenmp -align array64byte -fp-model fast=2 -no-prec-div -assume byterecl" --with-hdf5=no CFLAGS=" -xMIC-AVX512" LDFLAGS=" -shared-intel -qopenmp" LD_LIBS="`python3-config --ldflags`"
./configure MPIF90=ftn CC=cc CXX=CC --enable-openmp=yes --enable-parallel=yes --enable-shared=yes --with-scalapack=intel SCALAPACK_LIBS="${MKLROOT}/lib/intel64/libmkl_scalapack_lp64.so -Wl,--start-group ${MKLROOT}/lib/intel64/libmkl_intel_lp64.so ${MKLROOT}/lib/intel64/libmkl_intel_thread.so ${MKLROOT}/lib/intel64/libmkl_core.so ${MKLROOT}/lib/intel64/libmkl_blacs_intelmpi_lp64.so -Wl,--end-group" FFLAGS=" -xMIC-AVX512 -qopenmp -align array64byte -fp-model fast=2 -no-prec-div -assume byterecl" --with-hdf5=no CFLAGS=" -xMIC-AVX512" LDFLAGS=" -shared-intel -qopenmp" LD_LIBS="`${PYT}-config --ldflags`"
make pw -j 16
......
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