Re: [QE-users] Error in routine read_xml_file

2020-09-11 Thread hamed asadi
Unfortunately they did not work. I even deleted the title and prefix and checked the output address of tmp_dir and pw.x, the versions are the same. On Fri, 11 Sep 2020, 00:13 Paolo Giannozzi, wrote: > Do examples work? > > On Wed, Sep 9, 2020 at 5:51 PM hamed asadi wrote: > >> Dear Paolo; >>

Re: [QE-users] Error in routine read_xml_file

2020-09-10 Thread Paolo Giannozzi
Do examples work? On Wed, Sep 9, 2020 at 5:51 PM hamed asadi wrote: > Dear Paolo; > Both versions are 6.5. > > Hamed > > On Wed, 9 Sep 2020, 19:15 Paolo Giannozzi, wrote: > >> Please verify that you are using the same versions of pw.x and gipaw.x to >> produce and read the xml file. >> >>

Re: [QE-users] Error in routine read_xml_file

2020-09-09 Thread hamed asadi
Dear Paolo; Both versions are 6.5. Hamed On Wed, 9 Sep 2020, 19:15 Paolo Giannozzi, wrote: > Please verify that you are using the same versions of pw.x and gipaw.x to > produce and read the xml file. > > Paolo > > On Wed, Sep 9, 2020 at 1:13 PM hamed asadi wrote: > >> dear all, >> I am trying

Re: [QE-users] Error in routine read_xml_file

2020-09-09 Thread Paolo Giannozzi
Please verify that you are using the same versions of pw.x and gipaw.x to produce and read the xml file. Paolo On Wed, Sep 9, 2020 at 1:13 PM hamed asadi wrote: > dear all, > I am trying to run 'efg' calculation for quartz and working on VMware. > After scf calculation with mpirun and 2 cores,

Re: [QE-users] Error in routine read_xml_file

2020-09-09 Thread Lorenzo Paulatto
Before entering this value, I had entered the correct value, but I still noticed the same error. ok -- Lorenzo Paulatto - Paris ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list

Re: [QE-users] Error in routine read_xml_file

2020-09-09 Thread hamed asadi
Dear Paulatto, Before entering this value, I had entered the correct value, but I still noticed the same error. On Wed, Sep 9, 2020 at 3:45 PM Lorenzo Paulatto wrote: > > tmp_dir = '/home/hamed/Desktop/quartz/out/scf.save' > For tmp_dir you should use the same value you used for "outdir" in

Re: [QE-users] Error in routine read_xml_file

2020-09-09 Thread Lorenzo Paulatto
tmp_dir = '/home/hamed/Desktop/quartz/out/scf.save' For tmp_dir you should use the same value you used for "outdir" in the input of pw.x. I think it is probably not what you did here. cheers -- Lorenzo Paulatto - Paris ___ Quantum ESPRESSO is

[QE-users] Error in routine read_xml_file

2020-09-09 Thread hamed asadi
dear all, I am trying to run 'efg' calculation for quartz and working on VMware. After scf calculation with mpirun and 2 cores, efg calculation lunched with "mpirun -n 2 /home/hamed/qe-6.5/qe-gipaw/bin/gipaw.x -in efg.out and unfortunately faced with following error: