mirror of https://github.com/QMCPACK/qmcpack.git
19 lines
526 B
Bash
Executable File
19 lines
526 B
Bash
Executable File
#!/bin/bash
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module purge
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echo "Purging current module set"
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. ../../config/load_summit_modules.sh
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./download_and_patch_qe6.4.1.sh
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cd qe-6.4.1
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export BLAS_LIBS="-L$OLCF_ESSL_ROOT/lib64 -lessl"
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export LAPACK_LIBS="-L$OLCF_ESSL_ROOT/lib64 -lessl $OLCF_NETLIB_LAPACK_ROOT/lib64/liblapack.a"
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export SCALAPACK_LIBS="-L$OLCF_NETLIB_SCALAPACK_ROOT/lib -lscalapack"
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./configure --with-scalapack --with-hdf5=$OLCF_HDF5_ROOT CC=mpicc MPIF90=mpif90 F90=gfortran F77=gfortran
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sed -i "/DFLAGS/s/__FFTW/__LINUX_ESSL/" make.inc
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make all
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