Activity for Rafael Barfknecht
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Rafael Barfknecht posted a comment on ticket #42
Hello Matthew, I run conda activate openmps rm -rf build && python BuildOSMPS.py --clean python setup.py install and it works fine up to here. For python BuildOSMPS.py --prefix=/Users/rafaeleb/anaconda3/bin I still get an error (Fatal Error: Can't open module file 'ieee_arithmetic.mod' for reading at (1): No such file or directory make[1]). See the log attached. Rafael
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Hi Matthew, Thanks for the update. I managed to create the conda environment and run python setup.py install without apparent problems, but when running python BuildOSMPS.py --prefix=/Users/rafaeleb/anaconda3/bin I get the following error: Fatal Error: Can't open module file 'ieee_arithmetic.mod' for reading at (1): No such file or directory make[1]: [/Users/rafaeleb/Documents/openmps/MPSFortLib/Mods/Tensors.o] Error 1 make: [moddir_obj] Error 2 mv MPSFortLib/make.log .
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Hello Daniel, Thank you for your work! I am not able to verify that it works right now, but as soon as possible I will provide some feedback on this. Best regards, Rafael
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Hi Matthew, No problem, thanks for the reply. It would be surely nice to see this working again. Also, if possible I would like some more detailed instructions on the mac installation (see the other ticket), since I have not been able to solve that issue as well. Best wishes, Rafael
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Hi guys, Any chance of still getting some feedback here? Best regards, Rafael
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Hi Matthew, Thanks for the reply. I have installed the dependencies with brew, I believe. In regard to the commands: which python /usr/bin/python python --version Python 2.7.16 But python3 is installed python3 --version Python 3.7.7 which gfortran /usr/local/bin/gfortran ls -la /System/Library/Frameworks/Python.framework/Versions/2.7/Extras/lib/python/scipy/sparse/linalg/eigen/arpack total 760 drwxr-xr-x 10 root wheel 320 Jan 31 20:34 . drwxr-xr-x 8 root wheel 256 Feb 23 2019 .. -rw-r--r-- 1 root...
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Hi Matthew, Any update on this topic? Best wishes, Rafael
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Hi Matthew, Thanks for the reply. I have arpack 3.7.0_3 installed already. Then I ran sudo python BuildOSMPS.py --prefix=$CONDA_PREFIX/bin --option=FC:x86_64-conda_cos6-linux-gnu-gfortran --option=INCFLAGS:-I$CONDA_PREFIX/include --option=LIBFLAGS:"-L$CONDA_PREFIX/lib -L/System/Library/Frameworks/Python.framework/Versions/2.7/Extras/lib/python/scipy/sparse/linalg/eigen/arpack" but I still got errors (see the make.log file attached). Any ideas? Rafael
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Hi Matthew, Thanks for the reply. I am not specifying any type of local installation. The make.log file is attached. Best wishes, Rafael
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Problem when running in MacOS
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Hi Matthew, Thanks for the reply. The script is attached. Sometimes I am able to get results by reducing the size of the system L, but I don't recall that being th case previously. The script is based on a version made available by D. Jaschke here (I am guessing for v3.0) https://sourceforge.net/p/openmps/discussion/tech/thread/2bc53b16/ Best wishes, Rafael
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Excited states issue
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Hello all, I am trying to include a hopping term in a Hubbard Hamiltonian which looks like -t \sum_j exp(i \phi) a_j^\dagger a_j + H.c. and, although the simulations does run, I get ComplexWarning: Casting complex values to real discards the imaginary part Hstring = '%30.15E'%(self.weight[ii]) I tried adding the complex part either as the value of the hopping parameter itself and also as the weight in the definition of the operator, but the warning remains there. Is there a way to get around this...
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Hi Daniel, Thanks again for looking into it. This is indeed very helpful, looks like a simple enough way to provide an initial state. I will run some tests with this modified code and I'll write back if I have other questions. Best regards, Rafael
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Hi Daniel, Thanks again for the details. Ok, so I was not taking into account those single-component states, indeed you're right that numbers would not be conserved in those cases. So suppose I want to write the initial state with given number of particles in each component. The correct way to do that would be to write it with the state.productstate module? Do we have any examples around for that? Alternatively, the imaginary time-evolution procedure would require to calculate the ground state of...
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Hi Daniel, Thank you for the reply, I really appreciate you taking the time to discuss this. P.S. Each component is not conserved globally. I have to say I don't immediately see why that is, given the form of the extra term in the Hamiltonian... But if that's the case, you say that not even a variational ground state search with an initial state like you described would work to provide a correct ground state? Meaning the only way I could approach the problem would be to relax the condition of conservation...
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Hi Daniel, I understand it's a bit unorthodox, but my goal was to add that symmetry breaking term while still maintaining the same number of particles per component. I did not seem contradictory to me since we have both the term and it's complex conjugate acting on each site. Relaxing the condition of particle number consevation will return an artbitrary number of particles in each component, which is not what I am looking for. But you may be right and perhaps this term is not correctly defined....
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Sorry guys, but does anyone have any idea about this issue? Thanks, Rafael
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Hello there, I am trying to obtain some ground state properties for the Hubbard model with higher symmetry, where I add a symmetry breaking term in the Hamiltonian (see code attached). In the code, for the particular case of B0=0, everythign runs fine and I get the observables. For any B>0, however, it runs for a long time and doesn't return anything , even for small systems. Any thoughts on what the issue might be? Rafael
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Hi Daniel, Thanks for the reply. Right, so I understand that you fill the remaining slots by considering i<j AND j<i. But in the result we see that the out of diagonal elements differ by a minus sign, which indicates that the operators f_dagger and f have been swapped. Is it correct to assume that? Best, Rafael
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Hello, I am trying to compare some correlation results obtained with OSMPS. When creating the operators (for fermions) I define myObservables.AddObservable('corr', ['fdagger', 'f'], name='spdm', Phase=True) As described in the documentation, this calculates ['fdagger', 'f'] for sites i<=j. The outcome, however, is a LxL matrix (which cannot be filled by only considering i<=j). So how are the extra terms calculated? Thanks in advance, Rafael B.
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Hello Daniel, Thanks for the feedback and the files. It seems to be working well there indeed, so it must be some issue with the data handling. I will try to fix this and I'll write back if necessary. Best, Rafael
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Hello everyone, I am currently using OpenMPS to calculate the dynamics of a system of bosons in a lattice where I add some external harmonic potential. By now I have only made some tests adapting the example code for Bose Hubbard quench dynamics. The idea is to basically calculate the time-evolution of the width of the distribution of particles in the trap after a sudden change of the trapping frequency (something like "breathing" oscillations). The result should be some coherent oscillations in...
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Hello, I am trying to run simulations for a two-component Fermi Hubbard model (calculating static properties such as densities and correlations). Up to now, the two internal components to be different spins and label the oferators accordingly (such as as f_0 and f_1). However, this approach is returning strange results in the single-particle density matrix, even in a non-interacting case of only 2 particles (results are different if I calculate it for individual particles, one at a time). So I considered...
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Hi Daniel, Thank you again for the effort. I have just installed v3. Quick question: how do I get a global installation? I tried removing --local='./' in the python command, but that didn't work. I will run some tests with the modified script and I'll let you know if something comes up. Best regards, Rafael
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Hello Daniel, Please find the code attached. I have not addded this dictionary entry you mentioned, so that is likely the problem. I am not finding this detail on the manual, though, so I'd appreciate some instructions here. Best regards, Rafael
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Hello everyone, I am currently trying to use OpenMPS to calculate the number observable in the Fermi Hubbard model in a trap. My code is working well to obtain the ground state properties as Outputs = mps.ReadStaticObservables(parameters) StateOutputs = mps.GetObservables(Outputs, 'state', 0) then from that I get my defined observables as energ = StateOutputs[0]['energy'] convr = StateOutputs[0]['converged'] upnum = StateOutputs[0]['number_up'] dwnum = StateOutputs[0]['number_dw'] which works fine...
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Hello, Thank you for the reply. I think adjusting the bond dimension according to the desired tolerance is a good strategy. I'll work if that and I'll write back if any other issues come up. Best regards, Rafael
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Hello, I am running simulations for the Bose Hubbard model with large systems (such as N=10, L=200) and I would like to know a good way to estimate the necessary size of bond dimension in the convergence parameters. Should I calculate that from the actual size of the Hilbert space for that problem? Best regards, Rafael Barfknecht
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Hi Daniel, Thank you for the reply. 1) OK, my idea was to do some cases with just a few spins, but I can check with larger numbers as well. 2) and 3) I do get different numerical values which are different from zero, if the total number of sites is odd (if L is even, then it's all numerically zero). For instance, upon running the code twice for L=5 (no symmetries enforced), I get ('total energy', -1.92788625331799) ('z projection', array([-0.13529511, 0.07786379, -0.14955828, 0.07786379, -0.13529511]))...
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Hello everyone, I am currently trying to calculate ground state properties in the Heisenberg chain. I am starting with a small chain (L=3,4) and calculating the expected value of Sz (see code below). I have run into two problems: Upon running the code twice, even as I clear the folder /TMP and /OUTPUTS, I get different results. They seem to be internally consistent (the ratio between the projections at different sites seem correct) but the numbers differ a lot. I then try to add symmetries (I want...
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Hi Daniel, Thank you for the code. That will be really helpful. I assume I can use it for other hamiltonians as well (I am also working with the Heisenberg chain). However, I am also interested in the time evolution. Obtaining the single particle states is just a step for me to study quench dynamics in a system with a few interacting particles (then I'd be using the Bose Hubbard model to simulate the continuum). I have recently started looking at the time evolution of the single particle after a...
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Hi Daniel, I see. But you say that even if I chose a small system, with just a few sites (or a system spanning a smaller Hilbert space, such as a short spin chain) I cannot look at the eigenvectors? Rafael
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Hello Daniel, Thank you again for the reply. You are correct in that an extra term has to be included in the Hamiltonian to reproduce the energies of the continuum. I find that this term has to be proportional to the lattice spacing, that is, the total length of the system divided by the number of sites. However, how do I obtain the eigenstates of the system? I am able to calculate the static observables, such as total number of particles per site, and also the energy, but I'd like to look at the...
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Hello there, I am currentlly using openMPS to try and obtain results for mixtures of atoms in a harmonic trap. I noticed that, while I can get the correct results for the spatial distributions (e.g the number of particles per site), the energies are always coming out wrong (or so I believe). For instance, I am trying to reproduce the results for a single particle in a harmonic trap, with m=1 and \omega=1. So essentially I have one particle (a boson) distributed over a large number of sites. My goal...
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Hello Daniel, Thank you again for the answer. It works very nicely! Best regards, Rafael
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How to add trapping potentials
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Hello Daniel, Thank you for the answer! I figured out that the problem was actually your third hypothesis there. I have a global installation but I was trying to run the code locally. Removing the ./ in RunDir did the trick. Best regards, Rafael
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compilation error
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