Dear Abdul,

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.

Also, you should make sure to install VASP with the modified Wannier90 1.2 version as described here: http://z2pack.ethz.ch/doc/2.1/tutorial/installation.html#setting-up-first-principles-codes

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.

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.

Best regards,
Dominik

Am 14.11.2017 um 07:50 schrieb Abdul Jalil:
Dear users 
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
Regards.

+----------------------------------------------------------------------+
|===================                                                   |
|SURFACE CALCULATION                                                   |
|===================                                                   |
|starting at 2017-11-14 13:38:16,605                                   |
|running Z2Pack version 2.1.0                                          |
|                                                                      |
|gap_tol:            0.3                                               |
|init_result:        None                                              |
|iterator:           range(8, 27, 2)                                   |
|load:               True                                              |
|load_quiet:         True                                              |
|min_neighbour_dist: 0.01                                              |
|move_tol:           0.3                                               |
|num_lines:          11                                                |
|pos_tol:            0.01                                              |
|save_file:          ./results/res_0.p                                 |
|serializer:         auto                                              |
|surface:            <function <lambda> at 0x2b17277528c8>             |
|system:             <z2pack.fp._first_prin<...>ject at 0x2b171e1d85c0>|
+----------------------------------------------------------------------+

INFO: Adding lines required by 'num_lines'.
INFO: Adding line at t = 0.0
INFO:       Calculating line for N = 8
Traceback (most recent call last):
  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
FileNotFoundError: [Errno 2] No such file or directory: '/public/home/abdul/Z2PACK/Z2Pack-master-2.1.x/examples/fp/Bi_vasp/build/wannier90.mmn'

The above exception was the direct cause of the following exception:

Traceback (most recent call last):
  File "run.py", line 34, in <module>
    load=True
  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
  File "/public/home/wudx/anaconda3/lib/python3.6/contextlib.py", line 52, in inner
    return func(*args, **kwds)
  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
  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
  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
  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
  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
  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
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.












[xjwu@mse01 Bi_vasp]$ ls
input  plots  results  run.py
[xjwu@mse01 Bi_vasp]$ python run.py 
Traceback (most recent call last):
  File "run.py", line 10, in <module>
    import z2pack
ImportError: No module named z2pack

[xjwu@mse01 fp]$ ls
test_abinit.py  test_espresso_new.py  test_espresso.py  test_fp_kpoint.py  test_vasp.py
[xjwu@mse01 fp]$ python test_vasp.py 
Traceback (most recent call last):
  File "test_vasp.py", line 8, in <module>
    import pytest
ImportError: No module named pytest


--
Best Regards
Abdul Jalil
PhD Student
Department of Material Science & Engineering
University of Science and Technology