<div dir="ltr"><div dir="ltr"><div>Dear users,</div><div>Please find the attached 
input files which I want to run using thermo_pw. After 
making the three input files, I tried running the file using the 
command:<br></div><div>"mpirun -np 8 -machinefile h1 /apps/codes/qe/6.4/bin/thermo_pw.x < <a href="http://cao.mur_lc_t.in" target="_blank">cao.mur_lc_t.in</a> > cao.mur_lc_t.out" <br></div><div><br></div><div>Doing this, the following files and directory were produced:</div><div>anhar_files                 CRASH                        g2                        gnuplot_files        therm_files<br> g3                              h1                               thermo_control<br><a href="http://cao.mur_lc_t.in" target="_blank">cao.mur_lc_t.in</a>          dynamical_matrices    g4                         ph_control<br>cao.mur_lc_t.out        elastic_constants        g5                         phdisp_files<br>cao_mur_lc_t.save     energy_files                g6                         pseudo<br>cao_mur_lc_t.xml       g1                               g7                         restart</div><div><br></div><div>But,
 the run got terminated due to some reason and as you can see a file 
named CRASH was produced. The CRASH file had the following error:</div><div><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     task #         1<br>     from pw_readschemafile : error #         1<br>     xml data file not found<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     task #         3<br>     from pw_readschemafile : error #         1<br>     xml data file not found<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     task #         7<br>     from pw_readschemafile : error #         1<br>     xml data file not found<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     task #         4<br>     from pw_readschemafile : error #         1<br>     xml data file not found<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div><br></div><div>can anyone please explain me what can be the reason for this error? What should be the chronology of running the three files? <br></div><div>Thanks and regards.<br></div></div></div>