<HTML><BODY style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; ">I have no idea about that message but if you get an executable that runs I <DIV>hardly believe this could be the reason of your crash at high cutoff.</DIV><DIV>Honestly I can't understand how you can get an executable after that error message.. </DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Much more interesting is the fact that you're using ifort..</DIV><DIV>There were a couple of messages of Axel about the stack to use with intel compiler (I'm lazy and I will just</DIV><DIV>point you to the right answer instead of repeating already said words):</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV><A href="http://groups.google.com/group/cp2k/browse_thread/thread/aeba318f95da53b6/5859558c6ed00dac?lnk=gst&q=ulimit+axel#5859558c6ed00dac">http://groups.google.com/group/cp2k/browse_thread/thread/aeba318f95da53b6/5859558c6ed00dac?lnk=gst&q=ulimit+axel#5859558c6ed00dac</A></DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>on the other side not all intel compilers are able to compiler cp2k.</DIV><DIV>Ben, told me he was able to compile and run with 8.1 version (though some regtests were segfaulting)</DIV><DIV>I can say that I can compile cp2k with ifort 10.0.025 and all regtests pass through the check..</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Teo</DIV><DIV><BR><DIV><DIV>On 15 Oct 2007, at 18:35, chun wrote:</DIV><BR class="Apple-interchange-newline"><BLOCKQUOTE type="cite"><P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">Teo,</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica"><SPAN class="Apple-converted-space"> </SPAN>After I tried to compile cp2k again. I found a problem at the end</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">of the compiling:</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><BR></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">IPO Error: unresolved : zgeru_</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica"><SPAN class="Apple-converted-space"> </SPAN>Referenced in libcp2k_base_lib.a(fast.o)</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">rm fftrot.f90 fftsci_lib.f90 fft_lib.f90 mltfftsg_tools.f90</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">fftw2_lib.f90 fftw3_lib.f90 fftacml_lib.f90 fftmkl_lib.f90</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">fftessl_lib.f90 fftpre.f90 ctrig.f90 mltfftsg.f90 cp2k.f90</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">fftsg_lib.f90 fftstp.f90</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><BR></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">Maybe it's the reason which causes calculation failure for high cutoff</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">(too many Grids in a unit cell)? Could you let me know how to fix it?</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica"><SPAN class="Apple-converted-space"> </SPAN>The computer I am using is Dell Pentium IV. OS is Linux SUSE 9.1.</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">The version of FFTW is 3.1. but I'm not sure about the version of BLAS</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">and LAPACK. The arch file I used is Linux-i686.sopt and I made some</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">change of the file which is :</FONT></P> </BLOCKQUOTE></DIV><BR></DIV></BODY></HTML>