+1 vote
asked by (190 points)

I'm running tDMRG for a small Heisenberg spin-1/2 chain, using exactApplyMPO and normalizing the wave-function after each time step. When I run for 10 or 15 steps it works perfectly, but when I try to run more steps, I get a weird error:

element = (3.12191E-05,-7.29522E-19)
terminate called after throwing an instance of 'itensor::ITError'
what(): tensor is complex valued, use .cplx(...) method

1 Answer

0 votes
answered by (29.7k points)

Hi, so the reason for this error is that somehow an element of a tensor turned out to be complex even though a subroutine expected a real result. This isn't too surprising since you were doing real-time evolution, so complex numbers were involved. Then some subroutine multiplied (essentially) a complex number by its conjugate giving a real number ideally, but due to some floating point roundoff error gave a tiny imaginary part.

The code that triggered this error checks if the imaginary part is more than 1E-14 times smaller than the real part. Because the real part here was so small that check failed. So I'll put in a separate check that only runs this one if the imaginary part is larger than some reasonable value.

It's hard to get these things to be perfect in every case - thanks for reporting this.

commented by (29.7k points)
I just pushed a patch to ITensor that ought to prevent this particular error from happening the same way.
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