Adding optional mpirun command to pass to python interface. #47
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Passing a string 'mpirun' to python interface functions 'simulat' and 'optimize'. Defaults to "mpirun -np ". Also distributing the number of cores over initial conditions and also over Petsc.
The standard Hamiltonian model is only needed in python if either the time step size dT or the carrier wave frequencies are not specified by the user, and hence need to be computed based on the system Hamiltonian.
tdrwenski
reviewed
Apr 24, 2025
quandary.py
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| def simulate(self, *, pcof0=[], pt0=[], qt0=[], maxcores=-1, datadir="./run_dir", quandary_exec="", cygwinbash="", batchargs=[]): | ||
| def simulate(self, *, pcof0=[], pt0=[], qt0=[], maxcores=-1, datadir="./run_dir", quandary_exec="", cygwinbash="", mpirun="mpirun -np ", batchargs=[]): |
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Might be nice to add to docstring, here and below
quandary.py
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| myrun = "mpirun -np " | ||
| runcommand = f"{myrun} {ncores} " + runcommand | ||
| myrun = mpirun | ||
| runcommand = f"{myrun}{ncores} " + runcommand |
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Suggested change
| runcommand = f"{myrun}{ncores} " + runcommand | |
| runcommand = f"{myrun} {ncores} " + runcommand |
Maybe leave the space here so the "mpirun -np" will also work
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Does this make the |
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Passing a string 'mpirun' to python interface functions 'simulate' and 'optimize'. Defaults to "mpirun -np ".
Also distributing the maximum number of cores over initial conditions first and then over Petsc cores for the remaining ones.