Commit 7415bf3b authored by Marco Govoni's avatar Marco Govoni
Browse files

Updated doc

parent b5145662
...@@ -26,7 +26,8 @@ It's now time to create the ``pw.x``, ``wstat.x``, ``wfreq.x``, and ``westpp.x`` ...@@ -26,7 +26,8 @@ It's now time to create the ``pw.x``, ``wstat.x``, ``wfreq.x``, and ``westpp.x``
$ cd QEdir $ cd QEdir
$ make pw $ make pw
$ cd QEdir/West $ cd QEdir/West
$ make PYT=python3 $ make conf PYT=python3
$ make all
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. 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.
......
...@@ -38,14 +38,14 @@ WEST executables can be compiled using the following script: ...@@ -38,14 +38,14 @@ WEST executables can be compiled using the following script:
export LAPACK_LIBS=${MY_LIB_PATH}/LAPACK/liblapack.a export LAPACK_LIBS=${MY_LIB_PATH}/LAPACK/liblapack.a
export SCALAPACK_LIBS=${MY_LIB_PATH}/SCALAPACK/libscalapack.a export SCALAPACK_LIBS=${MY_LIB_PATH}/SCALAPACK/libscalapack.a
export FFT_LIBS="${MY_LIB_PATH}/FFTW3/lib/libfftw3.a ${MY_LIB_PATH}/FFTW3/lib/libfftw3_omp.a" export FFT_LIBS="${MY_LIB_PATH}/FFTW3/lib/libfftw3.a ${MY_LIB_PATH}/FFTW3/lib/libfftw3_omp.a"
export PYT=python3
./configure --with-scalapack --enable-openmp LD_LIBS="`${PYT}-config --ldflags`" ./configure --with-scalapack --enable-openmp LD_LIBS="`python3-config --ldflags`"
make -j 4 pw make -j 4 pw
cd West cd West
make make conf PYT=python3
make all
To use the script do: To use the script do:
......
...@@ -33,13 +33,13 @@ WEST executables can be compiled using the following script: ...@@ -33,13 +33,13 @@ WEST executables can be compiled using the following script:
export LAPACK_LIBS_SWITCH="external" export LAPACK_LIBS_SWITCH="external"
export LAPACK_LIBS=" " 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 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="`${PYT}-config --ldflags`" ./configure --enable-parallel --with-scalapack --enable-openmp LD_LIBS="`python3-config --ldflags`"
make -j 6 pw make -j 6 pw
cd West cd West
make make conf PYT=python3
make all
To use the script do: To use the script do:
......
...@@ -26,14 +26,14 @@ WEST executables can be compiled using the following script: ...@@ -26,14 +26,14 @@ WEST executables can be compiled using the following script:
export LD_LIBRARY_PATH=$MKLROOT/lib/intel64:$LD_LIBRARY_PATH export LD_LIBRARY_PATH=$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/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 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 ${MKLROOT}/lib/intel64/libmkl_blacs_intelmpi_lp64.so -Wl,--end-group" FFLAGS=" -xMIC-AVX512 -qopenmp -align array64byte -fp-model fast=2 -no-prec-div -assume byterecl" --with-hdf5=no CFLAGS=" -xMIC-AVX512" LDFLAGS=" -shared-intel -qopenmp" LD_LIBS="`${PYT}-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="`python3-config --ldflags`"
make pw -j 16 make pw -j 16
cd West cd West
make make conf PYT=python3
make all
To use the script do: To use the script do:
......
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