<div dir="ltr">Iain,<div><br></div><div>thanks so much for replying that quickly - much appreciated.</div><div><br></div><div>I think your first suggestion is unlikely to be the case because the machine I'm compiling on is a stand-alone server with a few multicore processors which are all of the same kind. I suspect your second suggestion is more likely the cause, so I'll try compiling all the libraries myself rather than relying on the pre-packaged ones and see what happens.</div><div><br></div><div>Thanks again!</div><div><br></div><div>David</div><div><br></div><div><br></div><br>On Tuesday, 13 May 2014 09:55:54 UTC+2, IBethune wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div style="word-wrap:break-word">Hi David,<div><br></div><div>Most likely cause of the Illegal Instruction error is that you are compiling for a different architecture to the one you are running on - in any case the error occurs when the executed code contains an instruction which is not implemented on the processor you are running on. Since you are using -march=native in your arch file, is it possible that you are running in a cluster environment where the machine you build on is different to the one you run on?</div><div><br></div><div>If this is not the case, the problem most likely comes from one of the libraries (fftw, atlas or libint) which might have been compiled for a different CPU architecture.</div><div><br></div><div>Cheers</div><div><br></div><div>- Iain</div><div><br><div>
<div><blockquote type="cite"><blockquote type="cite"></blockquote></blockquote>--<br><blockquote type="cite"><blockquote type="cite"></blockquote></blockquote><font color="#007316"><br></font><blockquote type="cite"><blockquote type="cite"></blockquote></blockquote>Iain Bethune<br><blockquote type="cite"><blockquote type="cite"></blockquote></blockquote>Project Manager, EPCC<br><blockquote type="cite"><blockquote type="cite"></blockquote></blockquote><font color="#007316"><br></font><blockquote type="cite"><blockquote type="cite"></blockquote></blockquote>Email: <a href="javascript:" target="_blank" gdf-obfuscated-mailto="-wcWHTzIEt8J" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">ibe...@epcc.ed.ac.uk</a><br><blockquote type="cite"><blockquote type="cite"></blockquote></blockquote>Twitter: @IainBethune<br><blockquote type="cite"><blockquote type="cite"></blockquote></blockquote>Web: <a href="http://www2.epcc.ed.ac.uk/~ibethune" target="_blank" onmousedown="this.href='http://www.google.com/url?q\75http%3A%2F%2Fwww2.epcc.ed.ac.uk%2F~ibethune\46sa\75D\46sntz\0751\46usg\75AFQjCNG_mfSsKrhZa6fGytXaaiLvKEaiHQ';return true;" onclick="this.href='http://www.google.com/url?q\75http%3A%2F%2Fwww2.epcc.ed.ac.uk%2F~ibethune\46sa\75D\46sntz\0751\46usg\75AFQjCNG_mfSsKrhZa6fGytXaaiLvKEaiHQ';return true;">http://www2.epcc.ed.ac.<wbr>uk/~ibethune</a><br><blockquote type="cite"><blockquote type="cite"></blockquote></blockquote>Tel/Fax: +44 (0)131 650 5201/6555<br><blockquote type="cite"><blockquote type="cite"></blockquote></blockquote>Mob: +44 (0)7598317015<br>Addr: 2404 JCMB, The King's Buildings, Mayfield Road, Edinburgh, EH9 3JZ</div>
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<br><div><div>On 13 May 2014, at 08:42, David Abergel <<a href="javascript:" target="_blank" gdf-obfuscated-mailto="-wcWHTzIEt8J" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">davi...@nordita.org</a>> wrote:</div><br><blockquote type="cite"><div dir="ltr">Hi all.<br><br>I am having problems getting cp2k to compile and run so I'm hoping you can help. Starting with the basics: I want to get a serial version of cp2k 2.4.0 running. (I know there is a more recent version, but I am told that to successfully compile 2.5.1 one must use gcc-4.8 and I do not have access to that version on the server I am using.) <br><br>The compilation and linking finish without errors, but when I try and run the QS tests with the new executable, I get the following error "Illegal instruction (core dumped)" immediately after the ASCII art quickstep (make the atoms dance!) display.<br><br>I have copied my arch file at the end of the post. Other pertinent information:<br><ul><li>gfortran version is 4.6.3;</li><li>the same thing happens when I compile the popt version;</li><li>I'm using the precompiled lapack/blas libraries that come with atlas;</li><li>running ldd on the executable shows that the correct lapack/blas libraries are dynamically linked.</li></ul>If there's any other important information that I've forgotten, I'll try to provide it.<br><br>Thanks for your help!<br><br>David<br><br><br><br><br><br>Arch file:<br><br>CC = cc<br>CPP = <br><br>FC = gfortran<br>LD = gfortran<br><br>AR = ar -r<br><br>ATLAS_INC = /usr/include/atlas<br>LOCAL_INC = /home/dabergel/.local/include<br><br>USR_LIB = /usr/lib<br>ATLAS_LIB = /usr/lib/atlas-base<br>LAPACK_LIB = $(ATLAS_LIB)/atlas<br>LOCAL_LIB = /home/dabergel/.local/lib<br><br>CPPFLAGS = <br>DFLAGS = -D__GFORTRAN -D__FFTSG -D__LIBINT -D__FFTW3 -D__LIBXC2<br><br>FCFLAGS = -O3 -march=native -ffast-math -funroll-loops -g \<br> -ffree-form $(DFLAGS) -I$(ATLAS_INC) -I$(LOCAL_INC)<br><br>LDFLAGS = $(FCFLAGS) -L$(ATLAS_LIB) -L$(LAPACK_LIB)<br><br>LIBS = -llapack -lcblas -latlas \<br> $(LOCAL_LIB)/libxc.a \<br> $(LOCAL_LIB)/libderiv.a \<br> $(LOCAL_LIB)/libint.a \<br> -lblas -lfftw3 -lfftw3_threads<br><br>OBJECTS_ARCHITECTURE = machine_gfortran.o<br></div><div><br></div>
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