Message: 10
Date: Mon, 29 Sep 2014 11:03:36 +0900
From: Synge Todo <wistaria@comp-phys.org>
To: comp-phys-alps-users@lists.phys.ethz.ch
Subject: Re: [ALPS-users] complexity estimation for the 3D
        ferromagnetic   Heisenberg model
Message-ID: <9E0990A4-3582-45B9-B8C6-F704BE452A27@comp-phys.org>
Content-Type: text/plain; charset=windows-1252

Dear Oleh,

It seems that your lattice ?p_lat? is not defined in THREE dimensions, but in TWO dimensions.
Are you really simulating three-dimensional model?

Best,
Synge


On 2014/09/29, at 5:09, Menchyshyn Oleh <oleh.menchyshyn@gmail.com> wrote:

> Dear ALPS community,
>
> I am trying to obtain the critical temperature for the 3D ferromagnetic Heisenberg model S=1/2 on the cubic lattice with a unit cell which contains 16 atoms. I have made the QMC "loop" simulations for the lattice with dimensions L = 8, i.e.  8*8*8 unit cells, also for L=10, and L=12.
> But there was just a little bend on the magnetisation curve as a sign of the phase transition which should occur for the ferromagnetic model for certain. I know I should use the Binder cumulant and the finite size scaling to locate the phase transition point correctly.
> I have enlarged my lattice to L=24, but simulation goes very-very slowly. As I have limited resources to just tens of cores and I have a feeling I would need to take L=32(48?) at least I want to ask:
>
> Based on your experience what order should be the THERMALIZATION and SWEEPS parameters?
> How can I estimate the computational complexity of my problem and the time it would take?
> Or maybe, I do anything wrong?
>
> A one more technical issue. The tutorial on the ALPS says that correctness of a lattice definition can be checked with "printgraph" tool. I used it with a couple definition files but all resulted in:
>
> Caught exception: parameter parse error at "<LATTICES> <LATTICEGRAPH name="p"
>
> Just for a reference I put a definition of a lattice I know worked well with simulation tools, but failed with "printgraph"
>
> <LATTICES>
> <LATTICEGRAPH name="p_lat">
>  <FINITELATTICE>
>   <LATTICE dimension="2">
>      <BASIS> <VECTOR>1 0</VECTOR><VECTOR>0 1</VECTOR></BASIS>
>   </LATTICE>
>    <PARAMETER name="L"/>
>    <PARAMETER name="M"/>
>    <EXTENT dimension="1"  size="L"/>
>    <EXTENT dimension="2"  size="M"/>
>    <BOUNDARY type="periodic"/>
>  </FINITELATTICE>
>  <UNITCELL dimension="2" vertices="6">
>  <VERTEX id="1"><COORDINATE> 0.6 0.2 </COORDINATE></VERTEX>
>  <VERTEX id="2"><COORDINATE> 0.6 0.6 </COORDINATE></VERTEX>
>  <VERTEX id="3"><COORDINATE> 0.2 0.6 </COORDINATE></VERTEX>
>  <VERTEX id="4"><COORDINATE> 0.2 0.2 </COORDINATE></VERTEX>
>  <VERTEX id="5"><COORDINATE> 0.8 0.4 </COORDINATE></VERTEX>
>  <VERTEX id="6"><COORDINATE> 0.4 0.8 </COORDINATE></VERTEX>
>  <EDGE type="2"><SOURCE vertex="1"/><TARGET vertex="2"/></EDGE>
>  <EDGE type="2"><SOURCE vertex="2"/><TARGET vertex="3"/></EDGE>
>  <EDGE type="2"><SOURCE vertex="3"/><TARGET vertex="4"/></EDGE>
>  <EDGE type="2"><SOURCE vertex="1"/><TARGET vertex="4"/></EDGE>
>  <EDGE type="3"><SOURCE vertex="1"/><TARGET vertex="5"/></EDGE>
>  <EDGE type="3"><SOURCE vertex="2"/><TARGET vertex="6"/></EDGE>
>  <EDGE type="1"><SOURCE vertex="2"/><TARGET vertex="5"/></EDGE>
>  <EDGE type="1"><SOURCE vertex="3"/><TARGET vertex="6"/></EDGE>
>  <EDGE type="3"><SOURCE vertex="3"/><TARGET vertex="5" offset="-1 0"/></EDGE>
>  <EDGE type="1"><SOURCE vertex="4"/><TARGET vertex="5" offset="-1 0"/></EDGE>
>  <EDGE type="3"><SOURCE vertex="4"/><TARGET vertex="6" offset="0 -1"/></EDGE>
>  <EDGE type="1"><SOURCE vertex="1"/><TARGET vertex="6" offset="0 -1"/></EDGE>
>  </UNITCELL>
> </LATTICEGRAPH>
> </LATTICES>
>
>
> Best regards,
> Oleh Menchyshyn



------------------------------

Message: 11
Date: Mon, 29 Sep 2014 11:44:07 +0900
From: Synge Todo <wistaria@comp-phys.org>
To: comp-phys-alps-users@lists.phys.ethz.ch
Subject: Re: [ALPS-users] complexity estimation for the 3D
        ferromagnetic   Heisenberg model
Message-ID: <1DFD019C-D86C-4BB5-8152-974E17F7B366@comp-phys.org>
Content-Type: text/plain; charset=windows-1252

Dear Oleh,

As for ?printgraph? tool, you have to specify the name of parameter file (not lattice file).
Please prepare a parameter file (say, ?parms?) that includes, e.g.

  LATTICE_LIBRARY = "lattice.xml"
  LATTICE = "p_lat"
  L = 4
  M = 4

and execute printgraph tool with the following command line option:

  printgraph parms

Best,
Synge


On 2014/09/29, at 11:03, Synge Todo <wistaria@comp-phys.org> wrote:

> Dear Oleh,
>
> It seems that your lattice ?p_lat? is not defined in THREE dimensions, but in TWO dimensions.
> Are you really simulating three-dimensional model?
>
> Best,
> Synge
>
>
> On 2014/09/29, at 5:09, Menchyshyn Oleh <oleh.menchyshyn@gmail.com> wrote:
>
>> Dear ALPS community,
>>
>> I am trying to obtain the critical temperature for the 3D ferromagnetic Heisenberg model S=1/2 on the cubic lattice with a unit cell which contains 16 atoms. I have made the QMC "loop" simulations for the lattice with dimensions L = 8, i.e.  8*8*8 unit cells, also for L=10, and L=12.
>> But there was just a little bend on the magnetisation curve as a sign of the phase transition which should occur for the ferromagnetic model for certain. I know I should use the Binder cumulant and the finite size scaling to locate the phase transition point correctly.
>> I have enlarged my lattice to L=24, but simulation goes very-very slowly. As I have limited resources to just tens of cores and I have a feeling I would need to take L=32(48?) at least I want to ask:
>>
>> Based on your experience what order should be the THERMALIZATION and SWEEPS parameters?
>> How can I estimate the computational complexity of my problem and the time it would take?
>> Or maybe, I do anything wrong?
>>
>> A one more technical issue. The tutorial on the ALPS says that correctness of a lattice definition can be checked with "printgraph" tool. I used it with a couple definition files but all resulted in:
>>
>> Caught exception: parameter parse error at "<LATTICES> <LATTICEGRAPH name="p"
>>
>> Just for a reference I put a definition of a lattice I know worked well with simulation tools, but failed with "printgraph"
>>
>> <LATTICES>
>> <LATTICEGRAPH name="p_lat">
>> <FINITELATTICE>
>>  <LATTICE dimension="2">
>>     <BASIS> <VECTOR>1 0</VECTOR><VECTOR>0 1</VECTOR></BASIS>
>>  </LATTICE>
>>   <PARAMETER name="L"/>
>>   <PARAMETER name="M"/>
>>   <EXTENT dimension="1"  size="L"/>
>>   <EXTENT dimension="2"  size="M"/>
>>   <BOUNDARY type="periodic"/>
>> </FINITELATTICE>
>> <UNITCELL dimension="2" vertices="6">
>> <VERTEX id="1"><COORDINATE> 0.6 0.2 </COORDINATE></VERTEX>
>> <VERTEX id="2"><COORDINATE> 0.6 0.6 </COORDINATE></VERTEX>
>> <VERTEX id="3"><COORDINATE> 0.2 0.6 </COORDINATE></VERTEX>
>> <VERTEX id="4"><COORDINATE> 0.2 0.2 </COORDINATE></VERTEX>
>> <VERTEX id="5"><COORDINATE> 0.8 0.4 </COORDINATE></VERTEX>
>> <VERTEX id="6"><COORDINATE> 0.4 0.8 </COORDINATE></VERTEX>
>> <EDGE type="2"><SOURCE vertex="1"/><TARGET vertex="2"/></EDGE>
>> <EDGE type="2"><SOURCE vertex="2"/><TARGET vertex="3"/></EDGE>
>> <EDGE type="2"><SOURCE vertex="3"/><TARGET vertex="4"/></EDGE>
>> <EDGE type="2"><SOURCE vertex="1"/><TARGET vertex="4"/></EDGE>
>> <EDGE type="3"><SOURCE vertex="1"/><TARGET vertex="5"/></EDGE>
>> <EDGE type="3"><SOURCE vertex="2"/><TARGET vertex="6"/></EDGE>
>> <EDGE type="1"><SOURCE vertex="2"/><TARGET vertex="5"/></EDGE>
>> <EDGE type="1"><SOURCE vertex="3"/><TARGET vertex="6"/></EDGE>
>> <EDGE type="3"><SOURCE vertex="3"/><TARGET vertex="5" offset="-1 0"/></EDGE>
>> <EDGE type="1"><SOURCE vertex="4"/><TARGET vertex="5" offset="-1 0"/></EDGE>
>> <EDGE type="3"><SOURCE vertex="4"/><TARGET vertex="6" offset="0 -1"/></EDGE>
>> <EDGE type="1"><SOURCE vertex="1"/><TARGET vertex="6" offset="0 -1"/></EDGE>
>> </UNITCELL>
>> </LATTICEGRAPH>
>> </LATTICES>
>>
>>
>> Best regards,
>> Oleh Menchyshyn