Loading build-aux/wombat.cmake 0 → 100644 +11 −0 Original line number Diff line number Diff line # Initial cache list for Wombat # # Usage: cmake -C /path/to/this/file /path/to/DCA/source -D<option>=<value> ... # Disable the GPU support. option(DCA_WITH_CUDA "Enable GPU support." ON) option(DCA_WITH_MPI "Enable MPI support." ON) set(MAGMA_DIR /ccsopen/home/weile/dev/src/magma-2.5.4/ CACHE PATH "Path to the MAGMA installation directory. Hint for CMake to find MAGMA.") build-aux/wombat_load_modules.sh 0 → 100755 +21 −0 Original line number Diff line number Diff line module purge module load cmake module load ARM_Compiler_For_HPC/20.3_TX2 module load openmpi/4.0.5_armclang module load hdf5-1.10.6-arm-20.3-a7xz2pp module load fftw-3.3.8-arm-20.3-qi3atrb module load openblas-0.3.8-arm-20.3-jcthkv3 module load netlib-lapack-3.8.0-arm-20.3-bbtrjci export CC=mpicc export CXX=mpicxx # cuda runtime requires when cuda = 10, gcc < 9 and clang < 9 # only wombat6 has temporarily installed cuda 10 # cuda 11 modules on Wombat might be buggy # gcc modules on Wombat all > 9 # it leaves us only one combination, use cuda 10 and armclang on Wombat6 export nvcc=/usr/local/cuda-10.2/bin/nvcc # module load cuda-11.2.1-arm-20.3-6ibfl33 #. /autofs/nccs-svm1_envoy_od/weile/dev/src/spack/share/spack/setup-env.sh tools/input_files/input.json 0 → 100644 +89 −0 Original line number Diff line number Diff line { "output": { "directory" : ".", "output-format": "HDF5", "filename-dca": "dca.hdf5", "filename-profiling": "profiling.json", "directory-config-read" : "", "dump-lattice-self-energy": false, "dump-cluster-Greens-functions": true, "dump-Gamma-lattice": false, "dump-chi-0-lattice": false }, "physics": { "beta": 50, "density": 1, "chemical-potential": 0., "adjust-chemical-potential": false }, "single-band-Hubbard-model": { "t": 1., "U": 4 }, "DCA": { "initial-self-energy" : "zero", "iterations": 1, "accuracy": 0., "self-energy-mixing-factor": 1., "interacting-orbitals": [0], "do-finite-size-QMC": false, "coarse-graining": { "k-mesh-recursion": 3, "periods": 2, "quadrature-rule": 1, "threads": 7, "tail-frequencies": 0 }, "DCA+": { "do-DCA+": false, "deconvolution-iterations": 16, "deconvolution-tolerance": 1.e-2 } }, "domains": { "real-space-grids": { "cluster": [[4, 0], [0, 4]] }, "imaginary-time": { "sp-time-intervals": 1024 }, "imaginary-frequency": { "sp-fermionic-frequencies": 1024, "four-point-fermionic-frequencies": 64 } }, "four-point": { "type": "PARTICLE_PARTICLE_UP_DOWN", "compute-all-transfers" : true, "frequency-transfer" : 0 }, "Monte-Carlo-integration": { "seed": 42, "warm-up-sweeps": 100, "sweeps-per-measurement": 1, "measurements": 10000, "error-computation-type" : "NONE", "threaded-solver": { "walkers": 7, "accumulators": 7 } }, "CT-AUX": { "expansion-parameter-K": 1., "max-submatrix-size": 128, "neglect-Bennett-updates": false, "additional-time-measurements": false } } Loading
build-aux/wombat.cmake 0 → 100644 +11 −0 Original line number Diff line number Diff line # Initial cache list for Wombat # # Usage: cmake -C /path/to/this/file /path/to/DCA/source -D<option>=<value> ... # Disable the GPU support. option(DCA_WITH_CUDA "Enable GPU support." ON) option(DCA_WITH_MPI "Enable MPI support." ON) set(MAGMA_DIR /ccsopen/home/weile/dev/src/magma-2.5.4/ CACHE PATH "Path to the MAGMA installation directory. Hint for CMake to find MAGMA.")
build-aux/wombat_load_modules.sh 0 → 100755 +21 −0 Original line number Diff line number Diff line module purge module load cmake module load ARM_Compiler_For_HPC/20.3_TX2 module load openmpi/4.0.5_armclang module load hdf5-1.10.6-arm-20.3-a7xz2pp module load fftw-3.3.8-arm-20.3-qi3atrb module load openblas-0.3.8-arm-20.3-jcthkv3 module load netlib-lapack-3.8.0-arm-20.3-bbtrjci export CC=mpicc export CXX=mpicxx # cuda runtime requires when cuda = 10, gcc < 9 and clang < 9 # only wombat6 has temporarily installed cuda 10 # cuda 11 modules on Wombat might be buggy # gcc modules on Wombat all > 9 # it leaves us only one combination, use cuda 10 and armclang on Wombat6 export nvcc=/usr/local/cuda-10.2/bin/nvcc # module load cuda-11.2.1-arm-20.3-6ibfl33 #. /autofs/nccs-svm1_envoy_od/weile/dev/src/spack/share/spack/setup-env.sh
tools/input_files/input.json 0 → 100644 +89 −0 Original line number Diff line number Diff line { "output": { "directory" : ".", "output-format": "HDF5", "filename-dca": "dca.hdf5", "filename-profiling": "profiling.json", "directory-config-read" : "", "dump-lattice-self-energy": false, "dump-cluster-Greens-functions": true, "dump-Gamma-lattice": false, "dump-chi-0-lattice": false }, "physics": { "beta": 50, "density": 1, "chemical-potential": 0., "adjust-chemical-potential": false }, "single-band-Hubbard-model": { "t": 1., "U": 4 }, "DCA": { "initial-self-energy" : "zero", "iterations": 1, "accuracy": 0., "self-energy-mixing-factor": 1., "interacting-orbitals": [0], "do-finite-size-QMC": false, "coarse-graining": { "k-mesh-recursion": 3, "periods": 2, "quadrature-rule": 1, "threads": 7, "tail-frequencies": 0 }, "DCA+": { "do-DCA+": false, "deconvolution-iterations": 16, "deconvolution-tolerance": 1.e-2 } }, "domains": { "real-space-grids": { "cluster": [[4, 0], [0, 4]] }, "imaginary-time": { "sp-time-intervals": 1024 }, "imaginary-frequency": { "sp-fermionic-frequencies": 1024, "four-point-fermionic-frequencies": 64 } }, "four-point": { "type": "PARTICLE_PARTICLE_UP_DOWN", "compute-all-transfers" : true, "frequency-transfer" : 0 }, "Monte-Carlo-integration": { "seed": 42, "warm-up-sweeps": 100, "sweeps-per-measurement": 1, "measurements": 10000, "error-computation-type" : "NONE", "threaded-solver": { "walkers": 7, "accumulators": 7 } }, "CT-AUX": { "expansion-parameter-K": 1., "max-submatrix-size": 128, "neglect-Bennett-updates": false, "additional-time-measurements": false } }
