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Dear Abdul,<br>
<br>
The error you are seeing means that there was an error when calling
VASP + Wannier90, and therefore the 'wannier90.mmn' file was not
created. Usually you can get a good idea of what the actual error
was by looking at the log files in the 'build' folder.<br>
<br>
Also, you should make sure to install VASP with the modified
Wannier90 1.2 version as described here: <a
href="http://z2pack.ethz.ch/doc/2.1/tutorial/installation.html#setting-up-first-principles-codes">http://z2pack.ethz.ch/doc/2.1/tutorial/installation.html#setting-up-first-principles-codes</a><br>
<br>
While Z2Pack is compatible with Wannier90 2.x, you CAN still use
Wannier90 1.2 (the modified version) with Z2Pack. In fact, since
VASP doesn't support Wannier90 2.x, the VASP examples are meant to
be run with exactly that version.<br>
<br>
The other two errors you pasted are pretty simple, but probably not
really relevant to solving your problem: The first one means that
you're not using the Python version where you installed Z2Pack. The
second one is to be expected -- you need to install z2pack with the
extra "development" requirements to run the automated tests (pip
install z2pack[dev]). But getting these tests to run should be
equivalent to getting the example to run, so there's no point in
doing that.<br>
<br>
Best regards,<br>
Dominik<br>
<br>
<div class="moz-cite-prefix">Am 14.11.2017 um 07:50 schrieb Abdul
Jalil:<br>
</div>
<blockquote
cite="mid:2f2572e3.19c4.15fb94b917d.Coremail.abdul@mail.ustc.edu.cn"
type="cite">Dear users
<div>I have installed Z2Pack and trying to run example of
Bi_vasp.How can i link vasp with z2pack? Although vasp cannot
support higher version of wannier while z2pack is compitable
with higer version .please suggest solution</div>
<div>Regards.<br>
<div>
<div><br>
</div>
<div>+----------------------------------------------------------------------+</div>
<div>|===================
|</div>
<div>|SURFACE CALCULATION
|</div>
<div>|===================
|</div>
<div>|starting at 2017-11-14 13:38:16,605
|</div>
<div>|running Z2Pack version 2.1.0
|</div>
<div>|
|</div>
<div>|gap_tol: 0.3
|</div>
<div>|init_result: None
|</div>
<div>|iterator: range(8, 27, 2)
|</div>
<div>|load: True
|</div>
<div>|load_quiet: True
|</div>
<div>|min_neighbour_dist: 0.01
|</div>
<div>|move_tol: 0.3
|</div>
<div>|num_lines: 11
|</div>
<div>|pos_tol: 0.01
|</div>
<div>|save_file: ./results/res_0.p
|</div>
<div>|serializer: auto
|</div>
<div>|surface: <function <lambda> at
0x2b17277528c8> |</div>
<div>|system:
<z2pack.fp._first_prin<...>ject at
0x2b171e1d85c0>|</div>
<div>+----------------------------------------------------------------------+</div>
<div><br>
</div>
<div>INFO: Adding lines required by 'num_lines'.</div>
<div>INFO: Adding line at t = 0.0</div>
<div>INFO: Calculating line for N = 8</div>
<div>Traceback (most recent call last):</div>
<div> File
"/public/home/wudx/anaconda3/lib/python3.6/site-packages/z2pack-2.1.0-py3.6.egg/z2pack/fp/_read_mmn.py",
line 16, in get_m</div>
<div>FileNotFoundError: [Errno 2] No such file or directory:
'/public/home/abdul/Z2PACK/Z2Pack-master-2.1.x/examples/fp/Bi_vasp/build/wannier90.mmn'</div>
<div><br>
</div>
<div>The above exception was the direct cause of the following
exception:</div>
<div><br>
</div>
<div>Traceback (most recent call last):</div>
<div> File "run.py", line 34, in <module></div>
<div> load=True</div>
<div> File
"/public/home/wudx/anaconda3/lib/python3.6/site-packages/z2pack-2.1.0-py3.6.egg/z2pack/surface/_run.py",
line 149, in run_surface</div>
<div> File
"/public/home/wudx/anaconda3/lib/python3.6/contextlib.py",
line 52, in inner</div>
<div> return func(*args, **kwds)</div>
<div> File
"/public/home/wudx/anaconda3/lib/python3.6/site-packages/z2pack-2.1.0-py3.6.egg/z2pack/surface/_run.py",
line 277, in _run_surface_impl</div>
<div> File
"/public/home/wudx/anaconda3/lib/python3.6/site-packages/z2pack-2.1.0-py3.6.egg/z2pack/surface/_run.py",
line 221, in add_line</div>
<div> File
"/public/home/wudx/anaconda3/lib/python3.6/site-packages/z2pack-2.1.0-py3.6.egg/z2pack/surface/_run.py",
line 194, in get_line</div>
<div> File
"/public/home/wudx/anaconda3/lib/python3.6/site-packages/z2pack-2.1.0-py3.6.egg/z2pack/line/_run.py",
line 202, in _run_line_impl</div>
<div> File
"/public/home/wudx/anaconda3/lib/python3.6/site-packages/z2pack-2.1.0-py3.6.egg/z2pack/fp/_first_principles.py",
line 138, in get_mmn</div>
<div> File
"/public/home/wudx/anaconda3/lib/python3.6/site-packages/z2pack-2.1.0-py3.6.egg/z2pack/fp/_read_mmn.py",
line 56, in get_m</div>
<div><font color="#0000ff">FileNotFoundError: [Errno 2] No
such file or directory:
'/public/home/abdul/Z2PACK/Z2Pack-master-2.1.x/examples/fp/Bi_vasp/build/wannier90.mmn'.
Check that the path of the .mmn file is correct (mmn_path
input variable). If that is the case, an error occured
during the call to the first-principles code and
Wannier90. Check the corresponding log/error files.</font></div>
</div>
<div><br>
</div>
<div><br>
</div>
<div><br>
</div>
<div><br>
</div>
<div><br>
</div>
<div><br>
</div>
<div><br>
</div>
<div><font color="#993300"><br>
</font></div>
<div>
<div style=""><font color="#993300"><br>
</font></div>
<div style=""><font color="#993300"><br>
</font></div>
<div style=""><font color="#993300"><br>
</font></div>
<div style=""><font color="#993300"><br>
</font></div>
<div style=""><font color="#333300">[<b style="">xjwu@mse01
Bi_vasp]$ ls</b></font></div>
<div style=""><b><font color="#333300">input plots results
run.py</font></b></div>
<div style=""><b><font color="#333300">[xjwu@mse01 Bi_vasp]$
python run.py </font></b></div>
<div style=""><b><font color="#333300">Traceback (most recent
call last):</font></b></div>
<div style=""><b><font color="#333300"> File "run.py", line
10, in <module></font></b></div>
<div style=""><b><font color="#333300"> import z2pack</font></b></div>
<div style=""><b style=""><font color="#333300">ImportError:
No module named z2pack</font></b></div>
<div style="color: rgb(153, 51, 0);"><br>
</div>
</div>
<div><font color="#993300">[xjwu@mse01 fp]$ ls</font></div>
<div><font color="#993300">test_abinit.py test_espresso_new.py
test_espresso.py test_fp_kpoint.py test_vasp.py</font></div>
<div><font color="#993300">[xjwu@mse01 fp]$ python test_vasp.py </font></div>
<div><font color="#993300">Traceback (most recent call last):</font></div>
<div><font color="#993300"> File "test_vasp.py", line 8, in
<module></font></div>
<div><font color="#993300"> import pytest</font></div>
<div><font color="#993300">ImportError: No module named pytest</font></div>
<div><br>
</div>
<br>
<span>--<br>
<blockquote style="margin: 0 0 0 40px ; border: none ;
padding: 0px"><a moz-do-not-send="true"
href="http://www.ustc.edu.cn" target="_blank"><font
color="#333399" size="2"><span style="line-height: 1.2">Best
Regards<br>
</span><span style="line-height: 1.2">Abdul Jalil<br>
</span><span style="line-height: 1.2">PhD Student<br>
</span><span style="line-height: 1.2">Department of
Material Science & Engineering<br>
</span><span style="line-height: 1.2">University of
Science and Technology </span></font></a></blockquote>
<br>
</span></div>
</blockquote>
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