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<font class="Apple-style-span" face="Tahoma" size="2">Dear all,</font><div style="font-family: Tahoma; font-size: 10pt; "><br></div><div style="font-family: Tahoma; font-size: 10pt; ">I am having a problem when I am running a scf calculation for a 72-atom supercell of Carbon grain boundaries. The calculations start and then after a few minutes stop with the following error:</div><div style="font-family: Tahoma; font-size: 10pt; "><br></div><div style="font-family: Tahoma; font-size: 10pt; "> <span class="Apple-style-span" style="font-family: verdana, arial, helvetica, sans-serif; font-size: 15px; background-color: rgb(255, 255, 255); ">Traceback: not available, compile with -ftrace=frame or -ftrace=full</span></div><span class="Apple-style-span" style="font-family: verdana, arial, helvetica, sans-serif; font-size: 15px; background-color: rgb(255, 255, 255); ">Operating system error: Cannot allocate memory<br>Memory allocation failed</span><div style="font-family: Tahoma; font-size: 10pt; "><span class="Apple-style-span" style="font-family: verdana, arial, helvetica, sans-serif; font-size: 15px; background-color: rgb(255, 255, 255); "><br></span></div><div style="font-family: Tahoma; font-size: 10pt; "><span class="Apple-style-span" style="font-family: verdana, arial, helvetica, sans-serif; font-size: 15px; background-color: rgb(255, 255, 255); ">on my desktop at work. I have the espresso-4.2 there. On my laptop at home (where I have downloaded the latest espresso-4.3.2 version). Now I am getting the error :</span></div><div style="font-family: Tahoma; font-size: 10pt; "><span class="Apple-style-span" style="font-family: verdana, arial, helvetica, sans-serif; font-size: 15px; background-color: rgb(255, 255, 255); "><br></span></div><div style="font-family: Tahoma; font-size: 10pt; "><span class="Apple-style-span" style="font-family: verdana, arial, helvetica, sans-serif; font-size: 15px; background-color: rgb(255, 255, 255); ">operating system error: cannot allocate memory</span></div><div style="font-family: Tahoma; font-size: 10pt; "><span class="Apple-style-span" style="font-family: verdana, arial, helvetica, sans-serif; font-size: 15px; background-color: rgb(255, 255, 255); ">out of memory</span></div><div style="font-family: Tahoma; font-size: 10pt; "><span class="Apple-style-span" style="font-family: verdana, arial, helvetica, sans-serif; font-size: 15px; background-color: rgb(255, 255, 255); "><br></span></div><div><font class="Apple-style-span" face="verdana, arial, helvetica, sans-serif"><span class="Apple-style-span" style="font-size: 15px;">Can anyone tell me what is going on? I am not sure if it is really a memory problem or something else?</span></font></div><div><font class="Apple-style-span" face="verdana, arial, helvetica, sans-serif"><span class="Apple-style-span" style="font-size: 15px;"><br></span></font></div><div><font class="Apple-style-span" face="verdana, arial, helvetica, sans-serif"><span class="Apple-style-span" style="font-size: 15px;">Thanks</span></font></div><div><font class="Apple-style-span" face="verdana, arial, helvetica, sans-serif"><span class="Apple-style-span" style="font-size: 15px;"><br></span></font></div><div><font class="Apple-style-span" face="verdana, arial, helvetica, sans-serif"><span class="Apple-style-span" style="font-size: 15px;">Elie Moujaes</span></font></div><div><font class="Apple-style-span" face="verdana, arial, helvetica, sans-serif"><span class="Apple-style-span" style="font-size: 15px;">University of Nottingham</span></font></div><div><font class="Apple-style-span" face="verdana, arial, helvetica, sans-serif"><span class="Apple-style-span" style="font-size: 15px;">NG7 2RD</span></font></div><div><font class="Apple-style-span" face="verdana, arial, helvetica, sans-serif"><span class="Apple-style-span" style="font-size: 15px;">UK</span></font></div> </div></body>
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