- edited description
Zernike multi-core fingerprinting broken
trying to train with multiple cores and Zernike fingerprints fails on the worker processes fails because FingerprintCalculator is being called without the fortran argument
init for FingerprintCalculator: init(self, neighborlist, Gs, nmax, cutoff, cutofffn, fortran):
Call in main: calc = FingerprintCalculator(neighborlist, Gs, nmax, cutoff, cutofffn)
Also, self.parallel_command = 'calculate_fingerprint_prime' should be self.parallel_command = 'calculate_fingerprint_primes'
And: calc = FingerprintPrimeCalculator(neighborlist, Gs,cutoff, cutofffn) is missing the nmax and fortran arguments
And: the checks for the cutoff function also throws errors for me (cutofffn is 'Cosine'), perhaps due to a type change in the parallel code. cutofffn == 'Cosine' etc fixes this
Comments (4)
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- changed status to resolved
Thanks Zack! Should be fixed in the commit 833fdd5.
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