Skip to content

Commit

Permalink
Merge branch 'develop' of github.com:issp-center-dev/DCore into develop
Browse files Browse the repository at this point in the history
  • Loading branch information
@k-yoshimi
k-yoshimi committed Nov 26, 2018
2 parents 9493c3b + c60409c commit ecdd206
Showing 1 changed file with 116 additions and 12 deletions.
128 changes: 116 additions & 12 deletions doc/install.rst
View file
Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,30 @@
Installation
============

Download
--------

You can download the source files in two ways.

- **[Release version]**

Go to the `release page <https://github.com/issp-center-dev/DCore/releases>`_ and download the latest tar or zip file.
You can unpack, for example, the tar file by

.. code-block:: bash
$ tar zxvf v1.x.x.tar.gz
- **[Develop version]**

Newly implemented features are available in the source code in GitHub repository. You can clone the repository by

.. code-block:: bash
$ git clone https://github.com/issp-center-dev/DCore.git dcore.src
The master branch basically corresponds to the latest released package, and the develop branch includes new features. Note that the develop branch may not be well tested and contains some bugs.

Prerequisites
-------------

Expand Down Expand Up @@ -70,7 +94,7 @@ Prerequisites

.. note::

If you want to treat the spin-orbit coupling in `TRIQS/cthyb` solver,
If you want to treat the spin-orbit coupling in ``TRIQS/cthyb`` solver,
it must be built with the following CMake options:

::
Expand All @@ -84,37 +108,117 @@ Prerequisites
.. note::

ALPSCore/CT-HYB is a standalone program with an interface based on text and HDF5 files.
"triqs_interface" is a TRIQS-compatible Python interface of ALPSCore/CT-HYB.
"triqs_interface" is a TRIQS-compatible Python interface of ``ALPSCore/CT-HYB``.
This allows to use this impurity solver transparently from DCore (built with TRIQS python architecture).
The main developer of ALPSCore/CT-HYB, H. Shinaoka, is one of the developers of DCore.
The main developer of ``ALPSCore/CT-HYB``, H. Shinaoka, is one of the developers of DCore.

Both of ALPSCore/CT-HYB and TRIQS/cthyb implement the hybridization-expansion continuous-time quantum Monte Carlo method.
Both of ``ALPSCore/CT-HYB`` and ``TRIQS/cthyb`` implement the hybridization-expansion continuous-time quantum Monte Carlo method.
The main difference is the reliability of measurement of the single-particle Green's function.
ALPSCore/CT-HYB uses a more elaborate algorithm (worm sampling).
The non-worm conventional sampling, which is implemented in TRIQS/cthyb,
The non-worm conventional sampling, which is implemented in ``TRIQS/cthyb``,
may give wrong results in some situations (e.g. SOI coupling with orbital-diagonal bath).

Installation steps
------------------

#. Download the sources from github ::
#. Create an empty build directory where you will compile the code

$ git clone https://github.com/issp-center-dev/DCore.git dcore.src

#. Create an empty build directory where you will compile the code::
::

$ mkdir dcore.build && cd dcore.build

#. In the build directory call cmake specifying where the TRIQS library is installed::
#. In the build directory call cmake specifying where the TRIQS library is installed

::

$ cmake -DTRIQS_PATH=path_to_triqs path_to_dcore_src

$ cmake -DTRIQS_PATH=path_to_triqs ../dcore.src
Here, *path_to_triqs* refers to your ``TRIQS`` install directory, and *path_to_dcore_src* refers to the ``DCore`` source directory.

#. Compile the code, run the tests and install the application::
#. Compile the code by

::

$ make

#. We recommend that you run the tests to check the compiling is properly finished. Type

::

$ make test

The test results look like

::

Running tests...
Test project /Users/k-yoshimi/CLionProjects/DCore/build
Start 1: typed_parser
1/21 Test #1: typed_parser ..................... Passed 0.62 sec
Start 2: openmx
2/21 Test #2: openmx ........................... Passed 0.66 sec
Start 3: respack
3/21 Test #3: respack .......................... Passed 0.64 sec
Start 4: pre_preset
4/21 Test #4: pre_preset ....................... Passed 0.91 sec
Start 5: pre_wannier
5/21 Test #5: pre_wannier ...................... Passed 2.42 sec
Start 6: pre_wannier_so
6/21 Test #6: pre_wannier_so ................... Passed 0.77 sec
Start 7: pre_respack
7/21 Test #7: pre_respack ...................... Passed 0.86 sec
Start 8: pre_respack_so
8/21 Test #8: pre_respack_so ................... Passed 0.75 sec
Start 9: main_chain_hubbardI
9/21 Test #9: main_chain_hubbardI .............. Passed 2.92 sec
Start 10: main_chain_hubbardI_so
10/21 Test #10: main_chain_hubbardI_so ........... Passed 3.51 sec
Start 11: main_chain_triqsqmc
11/21 Test #11: main_chain_triqsqmc ..............***Failed 0.70 sec
Start 12: main_chain_triqsqmc_so
12/21 Test #12: main_chain_triqsqmc_so ...........***Failed 0.68 sec
Start 13: check_chain_hubbardI
13/21 Test #13: check_chain_hubbardI ............. Passed 1.49 sec
Start 14: check_chain_hubbardI_so
14/21 Test #14: check_chain_hubbardI_so .......... Passed 1.48 sec
Start 15: check_chain_triqsqmc
15/21 Test #15: check_chain_triqsqmc .............***Failed 0.74 sec
Start 16: check_chain_triqsqmc_so
16/21 Test #16: check_chain_triqsqmc_so ..........***Failed 0.76 sec
Start 17: check_chain_alpsqmc
17/21 Test #17: check_chain_alpsqmc ..............***Failed 0.73 sec
Start 18: post_chain_hubbardI
18/21 Test #18: post_chain_hubbardI .............. Passed 2.28 sec
Start 19: post_chain_hubbardI_so
19/21 Test #19: post_chain_hubbardI_so ........... Passed 2.18 sec
Start 20: post_chain_triqsqmc
20/21 Test #20: post_chain_triqsqmc ..............***Failed 0.71 sec
Start 21: post_chain_triqsqmc_so
21/21 Test #21: post_chain_triqsqmc_so ...........***Failed 0.72 sec

67% tests passed, 7 tests failed out of 21

Total Test time (real) = 26.56 sec

The following tests FAILED:
11 - main_chain_triqsqmc (Failed)
12 - main_chain_triqsqmc_so (Failed)
15 - check_chain_triqsqmc (Failed)
16 - check_chain_triqsqmc_so (Failed)
17 - check_chain_alpsqmc (Failed)
20 - post_chain_triqsqmc (Failed)
21 - post_chain_triqsqmc_so (Failed)

In this system, only Hubbard-I solver is installed, and all tests related to QMC are failed. The tests from 1 to 8 should be passed regardless of impurity solvers you installed.

#. Finally, install by

::

$ make install

``DCore`` is installed in the directory *path_to_triqs*.

.. Version compatibility
.. ---------------------
..
Expand Down

0 comments on commit ecdd206

Please sign in to comment.