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Hello everyone,
I'm running a Virtual Machine, so I believe it's bound to 3 slots, so if I change the n_cores parameter and set it to 3 in the dmft_config.ini file, the mpirun completes the SCF calculation, but crashes when it starts the NSCF calculation and says that an error occured at the point dmft=.true. However, if I run singularily (with pw.x), my SCF, NSCF and W90 calculation run successfully (when I don't put csc=True in the dmft file). But I'm not sure if this would still be correct as I just get one iteration; I wanted to simulate as in the tutorial example of having 4 iterations shown at different points in the Brilluin Zone. So, could you let me know how to fix the above issues? Many thanks in advance |
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Replies: 1 comment 5 replies
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Could you try running initially with a single core and see if the issue persists?
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Could you try running initially with a single core and see if the issue persists?
mpirun -n 1 solid_dmft | tee dmft.out