Dear Sir, I installed the phonopy version 10.0 successfully but i put the command line it showing the error like this. Please suggest me.
[ambeshst@IITJ_HPC NaCl-wien2k]$ phonopy --wien2k -c NaCl.struct -p band.conf _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 1.10.0 Python version 2.7.11 Band structure mode Settings: Supercell: [2 2 2] Primitive axis: [ 0. 0.5 0.5] [ 0.5 0. 0.5] [ 0.5 0.5 0. ] Spacegroup: Fm-3m (225) Computing force constants... Reciprocal space paths in reduced coordinates: [ 0.00 0.00 0.00] --> [ 0.50 0.00 0.00] [ 0.50 0.00 0.00] --> [ 0.50 0.50 0.00] [ 0.50 0.50 0.00] --> [-0.00 -0.00 0.00] [ 0.00 0.00 0.00] --> [ 0.50 0.50 0.50] Traceback (most recent call last): File "/home/IITJHOME/ambeshst/win2k13mpi/python/bin/phonopy", line 938, in <module> plot = phonon.plot_band_structure(symbols=settings.get_band_labels()) File "/home/IITJHOME/ambeshst/win2k13mpi/python/lib/python2.7/site-packages/phonopy/api_phonopy.py", line 510, in plot_band_structure import matplotlib.pyplot as plt File "/home/IITJHOME/ambeshst/win2k13mpi/python/lib/python2.7/site-packages/matplotlib-1.5.0-py2.7-linux-x86_64.egg/matplotlib/__init__.py", line 124, in <module> from matplotlib.rcsetup import (defaultParams, File "/home/IITJHOME/ambeshst/win2k13mpi/python/lib/python2.7/site-packages/matplotlib-1.5.0-py2.7-linux-x86_64.egg/matplotlib/rcsetup.py", line 25, in <module> from matplotlib.fontconfig_pattern import parse_fontconfig_pattern File "/home/IITJHOME/ambeshst/win2k13mpi/python/lib/python2.7/site-packages/matplotlib-1.5.0-py2.7-linux-x86_64.egg/matplotlib/fontconfig_pattern.py", line 25, in <module> from pyparsing import Literal, ZeroOrMore, \ ImportError: No module named pyparsing On Wed, Mar 30, 2016 at 4:15 PM, Rajneesh Chaurasiya <rajnano2...@gmail.com> wrote: > Dear Gavin. > > as per your suggestion when i try to install the phonopy-1.10.5 the error > looks like > > File "setup.py", line 88 > with open("phonopy/version.py") as w: > ^ > SyntaxError: invalid syntax > > by giving the command line > [ambeshst@IITJ_HPC phono3py-1.10.5]$ python setup.py install > > > On Tue, Mar 29, 2016 at 3:44 PM, Rajneesh Chaurasiya < > rajnano2...@gmail.com> wrote: > >> Dear Gavin, >> >> I think, I installed the Phonopy successfully and set the Path >> correctly. but when i give the command >> >> [ambeshst@IITJ_HPC tests]$ phonopy --wien2k -c NaCl.struct -d --dim="2 2 >> 2" >> >> It showing the syntax error >> >> raceback (most recent call last): >> File "/home/IITJHOME/ambeshst/win2k13mpi/python35/bin/phonopy", line >> 496, in <module> >> from phonopy.interface.wien2k import >> write_supercells_with_displacements >> File >> "/home/IITJHOME/ambeshst/win2k13mpi/python35/lib/python3.5/site-packages/phonopy/interface/wien2k.py", >> line 65 >> print "%s contains only forces of %d atoms" % ( >> ^ >> SyntaxError: invalid syntax >> >> >> Please give me your ideas why it is showing this error. >> >> >> On Tue, Mar 29, 2016 at 11:39 AM, Rajneesh Chaurasiya < >> rajnano2...@gmail.com> wrote: >> >>> Dear Gavin, >>> >>> I have again installed the Python 3.5 and Phonopy in my HPC as per your >>> suggestion but it couldn't work properly. >>> >>> I follow the steps as per your previous guidelines. >>> >>> I got the following error >>> >>> >>> -bash: phonopy: command not found >>> >>> When i give the command >>> >>> [ambeshst@IITJ_HPC NaCl-wien2k]$ phonopy --wien2k -c NaCl.struct -d >>> --dim="2 2 2" >>> >>> Please aware me for my mistakes >>> >>> On Sat, Feb 20, 2016 at 12:14 PM, Rajneesh Chaurasiya < >>> rajnano2...@gmail.com> wrote: >>> >>>> >>>> Dear gavin, >>>> >>>> I have modified the .bashrc file, which i am attaching through this >>>> mail and also the some one image file which contains the file inside the >>>> python folder. >>>> >>>> please find the attached files and give your suggestions.. >>>> >>>> On Tue, Feb 16, 2016 at 3:19 PM, Rajneesh Chaurasiya < >>>> rajnano2...@gmail.com> wrote: >>>> >>>>> I have modified the file according to your suggestion but still there >>>>> is same error... >>>>> >>>>> Traceback (most recent call last): >>>>> File "/home/IITJHOME/ambeshst/win2k13mpi/phonopy", line 40, in ? >>>>> from phonopy import * >>>>> ImportError: No module named phonopy >>>>> >>>>> >>>>> I am attaching the .bashrc file so please check whether this is >>>>> correct or not.. >>>>> please suggest your suggestion.. >>>>> >>>>> >>>>> On Sat, Feb 13, 2016 at 12:38 PM, Rajneesh Chaurasiya < >>>>> rajnano2...@gmail.com> wrote: >>>>> >>>>>> >>>>>> >>>>>> Dear Gavin, >>>>>> >>>>>> I have installed newer version of phonopy package >>>>>> https://sourceforge.net/projects/phonopy/files/phonopy/phonopy-1.10/phonopy-1.10.0.tar.gz/download >>>>>> and it required the scf2forces which i get from >>>>>> http://www.wien2k.at/reg_user/unsupported/ but it showing the error, >>>>>> which i have seen in the previous message. but as per your suggestion if >>>>>> i >>>>>> use he experimental support option in Phonopy 1.10.0 [ >>>>>> http://atztogo.github.io/phonopy/wien2k.html#wien2k-interface ]: >>>>>> means phonopy --wien2k -f case-001.scf case-002.scf then it showing error >>>>>> some error. >>>>>> >>>>>> >>>>>> Traceback (most recent call last): >>>>>> File "/home/IITJHOME/ambeshst/win2k13mpi/phonopy", line 40, in ? >>>>>> from phonopy import * >>>>>> ImportError: No module named phonopy >>>>>> >>>>>> >>>>>> so i dont know that the installed phonopy is compatible with the >>>>>> wien2k or not. >>>>>> >>>>>> please give me your ideas why this is happening. >>>>>> >>>>> >>>>> >>> >>> >>> -- >>> Thanks & Regards >>> Rajneesh Chaurasiya >>> Junior Research Fellow >>> IIT,Jodhpur, India >>> Mob. No. +91-9584499697 >>> +91-7610950803 >>> >> >> >> >> -- >> Thanks & Regards >> Rajneesh Chaurasiya >> Junior Research Fellow >> IIT,Jodhpur, India >> Mob. No. +91-9584499697 >> +91-7610950803 >> > > > > -- > Thanks & Regards > Rajneesh Chaurasiya > Junior Research Fellow > IIT,Jodhpur, India > Mob. No. +91-9584499697 > +91-7610950803 > -- Thanks & Regards Rajneesh Chaurasiya Junior Research Fellow IIT,Jodhpur, India Mob. No. +91-9584499697 +91-7610950803
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