<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=us-ascii">
</head>
<body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; color: rgb(0, 0, 0); font-size: 14px; font-family: Calibri, sans-serif; ">
<div>Hi Aditya,</div>
<div><br>
</div>
<div>I have similar problem before with a nscf run. I finally found out that it was due to bus problem, since my job was very big. I reduced the number of CPUs per node (and of course increased number of nodes), then it worked. You may try it again with
this way to see if it solves your problem. </div>
<div><br>
</div>
<div>Trinh </div>
<div><br>
</div>
<span id="OLK_SRC_BODY_SECTION">
<div style="font-family:Calibri; font-size:11pt; text-align:left; color:black; BORDER-BOTTOM: medium none; BORDER-LEFT: medium none; PADDING-BOTTOM: 0in; PADDING-LEFT: 0in; PADDING-RIGHT: 0in; BORDER-TOP: #b5c4df 1pt solid; BORDER-RIGHT: medium none; PADDING-TOP: 3pt">
<span style="font-weight:bold">From: </span>Aditya Putatunda <<a href="mailto:adityaputatunda@gmail.com">adityaputatunda@gmail.com</a>><br>
<span style="font-weight:bold">Reply-To: </span>PWSCF Forum <<a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a>><br>
<span style="font-weight:bold">Date: </span>Tuesday, August 26, 2014 9:28 AM<br>
<span style="font-weight:bold">To: </span>"<a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a>" <<a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a>><br>
<span style="font-weight:bold">Subject: </span>[Pw_forum] Fwd: Band calculation gets terminated<br>
</div>
<div><br>
</div>
<div>
<div>
<div dir="ltr">Hello all,
<div>Sorry to state, but I got no reply. I am still getting the same error while doing nscf for the DOS calculations. Please help me figure out the problem why the application terminates without putting the JOB DONE quote. Moreover I cannot use the results
further for plotting the DOS.</div>
<div><br>
</div>
<div>Thanks, </div>
<div>Aditya<br>
<div><br>
<div class="gmail_quote">---------- Forwarded message ----------<br>
From: <b class="gmail_sendername">Aditya Putatunda</b> <span dir="ltr"><<a href="mailto:adityaputatunda@gmail.com">adityaputatunda@gmail.com</a>></span><br>
Date: Thu, Aug 21, 2014 at 8:46 AM<br>
Subject: Band calculation gets terminated<br>
To: <a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a><br>
<br>
<br>
<div dir="ltr">Hi all,
<div>I was doing a bands calculation for a non-metallic system of about 60 atoms. But each time the pw.x process terminates with the last line " Writing output data file *filename*.save " in the bands.out file. Now further when I try to collect the
bands calculated by pw.x using bands.x, the process terminated abruptly with no CRASH file. Also the temp files are quite large ( >750Mb).</div>
<div><br>
</div>
<div>I am using parallel version 5.0.1 on 48 processors and have no disk/memory issues in my workstation. Has someone come across this problem or is it some system/machine specific error. Please enlighten me.</div>
<div><br>
</div>
<div>-Aditya</div>
<div>NISER, Bhubaneswar,</div>
<div>India</div>
</div>
</div>
<br>
</div>
</div>
</div>
</div>
</div>
</span>
</body>
</html>