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At the main SC script 'sc_dmft.py' requires importing a user DMFT script as a module. Ideally, this should be implemented in a different way so that the user script imports a function from the self-consistent script.
10 lines
191 B
Bash
Executable File
10 lines
191 B
Bash
Executable File
#/bin/bash
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NPROC=4
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rm -f vasp.lock
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stdbuf -o 0 mpirun -np $NPROC ~/Codes/vasp/build_20151202/vasp.5.4.2/build/std/vasp &
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mpirun -np $NPROC ./run_build.sh sc_dmft.py $(jobs -p) || kill %1
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