<div dir="ltr"><div>It seems to me that "CI_scheme" is misspelled (with an "l" instead of a capital "i") (or a lowercase "i": names of variables are case-insensitive)<br></div><div><br></div><div>Paolo<br></div><div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Aug 4, 2020 at 5:43 PM Rutika Savaliya <<a href="mailto:rutika.savaliya@mail.mcgill.ca">rutika.savaliya@mail.mcgill.ca</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div dir="ltr">
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<span style="color:rgb(50,49,48);font-size:13.3333px;background-color:rgb(255,255,255);display:inline">Dear
colleagues,</span><br style="color:rgb(50,49,48);font-size:13.3333px;background-color:rgb(255,255,255)">
</div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<br style="color:rgb(50,49,48);font-size:13.3333px;background-color:rgb(255,255,255)">
<span style="color:rgb(50,49,48);font-size:13.3333px;background-color:rgb(255,255,255);display:inline">I
have found a problem when running neb calculation for adsorption of CH4 on MoN surface splitting to CH3 on Mo and H on N</span><span style="color:rgb(50,49,48);font-size:13.3333px;background-color:rgb(255,255,255);display:inline">.
I have attached the input file for the calculation. The error shown will running on Compute Canada Server, its crash down with an error of following:</span></div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<span style="color:rgb(50,49,48);font-size:13.3333px;background-color:rgb(255,255,255);display:inline"><br>
</span></div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<span style="color:rgb(50,49,48);font-size:13.3333px;background-color:rgb(255,255,255);display:inline"><br>
<div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% task # 30</div>
<div> from path_read_namelists : error # 19</div>
<div> reading namelist path </div>
<div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
<br>
I have been using qe version 6.1 for the calculation on cloud server of CEDAR on COMPUTE CANADA.</span></div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<span style="color:rgb(50,49,48);font-size:13.3333px;background-color:rgb(255,255,255);display:inline"><br>
</span></div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<span style="color:rgb(50,49,48);font-size:13.3333px;background-color:rgb(255,255,255);display:inline">Please
give me some advice to solve this error.</span></div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<span style="color:rgb(50,49,48);font-size:13.3333px;background-color:rgb(255,255,255);display:inline"><br>
</span></div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<span style="color:rgb(50,49,48);font-size:13.3333px;background-color:rgb(255,255,255);display:inline">Regards,</span></div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<span style="color:rgb(50,49,48);font-size:13.3333px;background-color:rgb(255,255,255);display:inline">Rutika
Savaliya</span></div>
<div><span style="font-size:13.3333px">Department of Chemical Engineering</span></div>
<div><span style="font-size:13.3333px">McGill University</span></div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<span style="color:rgb(50,49,48);font-size:13.3333px;background-color:rgb(255,255,255);display:inline"><br>
</span></div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<br>
</div>
</div>
_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" rel="noreferrer" target="_blank">www.max-centre.eu/quantum-espresso</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div><br clear="all"><br>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div>