<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:12pt"><div><span>Hi Prof,</span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-style: normal; background-color: transparent;"><span><br></span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-style: normal; background-color: transparent;"><span>Thanks for your reply. I will try to recompile with those flags.</span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-style: normal; background-color: transparent;"><span><br></span></div><div style="color: rgb(0, 0, 0); font-size: 16px;
font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-style: normal; background-color: transparent;"><span>As a side note, I have tried two other test cases.</span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-style: normal; background-color: transparent;"><span>1. I tried running my system on 1 processor with 110 GB memory. Phcg.x gave the same error.</span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-style: normal; background-color: transparent;"><span>2. Changed all potentials from the original PBE to LDA (pz-hgh). Phcg.x is running with these LDA potentials.</span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial,
'Lucida Grande', sans-serif; font-style: normal; background-color: transparent;"><span>3. Reduced my system from 112 to 12 atoms but used the same PBE for the respective species. This reduced the required memory by a lot but Phcg.x gave the same error.</span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-style: normal; background-color: transparent;"><br></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-style: normal; background-color: transparent;"><span><br></span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-style: normal; background-color: transparent;"><span>Thanks,</span></div><div style="color: rgb(0, 0, 0); font-size:
16px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-style: normal; background-color: transparent;"><span><br></span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-style: normal; background-color: transparent;"><span>wee liat</span></div> <div class="qtdSeparateBR"><br><br></div><div class="yahoo_quoted" style="display: block;"> <div style="font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-size: 12pt;"> <div style="font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-size: 12pt;"> <div dir="ltr"> <font size="2" face="Arial"> On Sunday, June 29, 2014 4:49 AM, Paolo Giannozzi <paolo.giannozzi@uniud.it> wrote:<br> </font> </div> <br><br> <div class="y_msg_container">On Thu, 2014-06-26 at 18:48 -0700,
weeliat wrote:<div class="yqt5999538103" id="yqtfd96494"><br clear="none">> <br clear="none">> phcg.x:69448 terminated with signal 11 at PC=4bf379 SP=7fffa63067a0.<br clear="none">> Backtrace:<br clear="none">> /home-research/espresso/bin/phcg.x(gradrho_+0x3c9)[0x4bf379]<br clear="none"><br clear="none">> The scf calculation run well with no errors. I wonder if it is a PP<br clear="none">> problem or out of memory issue?</div><br clear="none"><br clear="none">it is impossible to know without some further info. The error is in<br clear="none">subroutine "gradrho". If you recompile with debug flags on (-g or<br clear="none">something similar) you may discover the exact line number where the<br clear="none">error happens<br clear="none"><br clear="none">Paolo<br clear="none"><br clear="none">-- <br clear="none">Paolo Giannozzi, Dept. Chemistry&Physics&Environment, <br clear="none">Univ. Udine, via delle Scienze 208,
33100 Udine, Italy<br clear="none">Phone +39-0432-558216, fax +39-0432-558222 <div class="yqt5999538103" id="yqtfd36437"><br clear="none"><br clear="none"></div><br><br></div> </div> </div> </div> </div></body></html>