<div dir="ltr"><div dir="ltr"><div><span style="background-color:rgb(255,255,255)"><span style="color:rgb(51,51,51);font-family:"Lucida Grande","Trebuchet MS",Verdana,Helvetica,Arial,sans-serif;font-size:13px">Hi,</span></span></div><div><span style="background-color:rgb(255,255,255)"><span style="color:rgb(51,51,51);font-family:"Lucida Grande","Trebuchet MS",Verdana,Helvetica,Arial,sans-serif;font-size:13px"><br></span></span></div><div dir="ltr"><span style="background-color:rgb(255,255,255)"><span style="color:rgb(51,51,51);font-family:"Lucida Grande","Trebuchet MS",Verdana,Helvetica,Arial,sans-serif;font-size:13px">This error was also observed when a different version of a compiler was loaded than that used to compile the code. </span><span style="color:rgb(51,51,51);font-family:"Lucida Grande","Trebuchet MS",Verdana,Helvetica,Arial,sans-serif;font-size:13px">Suggested was to rebuild everything and please try this:</span></span><br></div><div dir="ltr"><span style="background-color:rgb(255,255,255)"><span style="color:rgb(51,51,51);font-family:"Lucida Grande","Trebuchet MS",Verdana,Helvetica,Arial,sans-serif;font-size:13px"><br></span></span></div><div dir="ltr"><span style="background-color:rgb(255,255,255)"><font color="#333333" face="Lucida Grande, Trebuchet MS, Verdana, Helvetica, Arial, sans-serif"><a href="ftp://ftp.iitb.ac.in/LDP/en/solrhe/ch06s10.html">ftp://ftp.iitb.ac.in/LDP/en/solrhe/ch06s10.html</a></font><br></span></div><div dir="ltr"><span style="background-color:rgb(255,255,255)"><font color="#333333" face="Lucida Grande, Trebuchet MS, Verdana, Helvetica, Arial, sans-serif"><br></font></span></div><div><span style="background-color:rgb(255,255,255)"><font color="#333333" face="Lucida Grande, Trebuchet MS, Verdana, Helvetica, Arial, sans-serif">With Regards,</font></span></div><div><span style="background-color:rgb(255,255,255)"><font color="#333333" face="Lucida Grande, Trebuchet MS, Verdana, Helvetica, Arial, sans-serif">SJ</font></span></div></div></div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div style="font-size:12.8px"><div><b style="color:rgb(56,118,29);font-size:12.8px">--------------------------------------------------------------------------------------------------------------<br></b></div><div><b style="color:rgb(56,118,29);font-size:12.8px">SUBRATA JANA</b><br></div></div><div><div style="font-size:12.8px"><font color="#38761d"><b>Research Scholar</b></font></div><div dir="ltr" style="font-size:12.8px"><font color="#38761d"><b>School of Physical Sciences<br>National Institute of Science Education and Research (NISER), </b><b style="font-size:12.8px">Bhubaneswar</b></font></div><div dir="ltr" style="font-size:12.8px"><font color="#38761d"><b><span style="font-size:12.8px">PO- Bhimpur-Padanpur, </span><span style="font-size:12.8px">Via- Jatni, District:- Khurda</span></b><br style="font-size:12.8px"></font><blockquote style="font-size:12.8px;margin:0px 0px 0px 40px;border:medium none;padding:0px"></blockquote><b><font color="#38761d">PIN – 752050, Odisha, INDIA</font></b></div></div></div></div></div></div></div>
<br><div class="gmail_quote">On Fri, Aug 31, 2018 at 2:14 PM, Ankit Jain <span dir="ltr"><<a href="mailto:ajain@fysik.dtu.dk" target="_blank">ajain@fysik.dtu.dk</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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<div style="word-wrap:break-word;line-break:after-white-space">Dear All,
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<div>I am new to PWCOND calculations and I created my input files following the provided examples.</div>
<div>I am trying to do conductance calculation for Metal-conductor-metal system. I am running into SIGSEGV error.</div>
<div><br>
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<div>Things I tried:</div>
<div>- running in serial vs parallel and on larger memory machines (16 cpus with 128 gb memory).</div>
<div>- changing ikind in the <a href="http://pwcond.in" target="_blank">pwcond.in</a> input from 1 to 2 as my right and left lead are same material.</div>
<div>- setting ikind =2, and bdr = 40 in the input to pwcond.x (40 is my system size in the z-direction)</div>
<div>- setting ikind=2 and bdl =10 and bds = 30 in the pwcond.x input file. In this case, program does not crash but returns NAN as non-zero value of transmittance.</div>
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<div>My <a href="http://scf.in" target="_blank">scf.in</a>, <a href="http://pwcond.in" target="_blank">pwcond.in</a>, scf.out and pwcond.out files are attached. The program (pwcond.x) dies with the following error:</div>
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<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>forrtl: severe (174): SIGSEGV, segmentation fault occurred</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>Image PC Routine Line Source </span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>pwcond.x 0000000000BA019D Unknown Unknown Unknown</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>libpthread-2.17.s 00007F841B50D6D0 Unknown Unknown Unknown</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>libiomp5.so 00007F841A2F4595 Unknown Unknown Unknown</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>libiomp5.so 00007F841A2F42D4 Unknown Unknown Unknown</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>libiomp5.so 00007F841A2F5F16 Unknown Unknown Unknown</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>libiomp5.so 00007F841A2F6215 Unknown Unknown Unknown</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>libiomp5.so 00007F841A2F6137 Unknown Unknown Unknown</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>libiomp5.so 00007F841A2F60EF Unknown Unknown Unknown</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>libiomp5.so 00007F841A2F918F Unknown Unknown Unknown</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>libiomp5.so 00007F841A2F8F3D Unknown Unknown Unknown</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>libiomp5.so 00007F841A2ED4A3 Unknown Unknown Unknown</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>libiomp5.so 00007F841A2EFD9E Unknown Unknown Unknown</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>pwcond.x 0000000000BE1FAA Unknown Unknown Unknown</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>pwcond.x 0000000000418405 compbs_ 439 compbs.f90</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>pwcond.x 0000000000425A75 do_cond_ 520 do_cond.f90</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>pwcond.x 000000000042096F MAIN__ 22 condmain.f90</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>pwcond.x 000000000040E2EE Unknown Unknown Unknown</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span><a href="http://libc-2.17.so" target="_blank">libc-2.17.so</a> 00007F841B153445 __libc_start_main Unknown Unknown</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>pwcond.x 000000000040E1E9 Unknown Unknown Unknown</span></div>
</div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
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<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
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<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>Thank You,</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span><br>
</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>Ankit Jain</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>Postdoctroal Scholar,</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>DTU Physics,</span></div>
<div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)">
<span>Denmark.</span></div>
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