<div dir="ltr"><div><div><div>Dear Jörg,<br><br></div> Also I am using the OpenBLAS library, same version as yours (compiled with gfortran 5.4.0), and I do not have encountered problems.<br><br></div> Greetings,<br><br></div> apsi<br></div><div class="gmail_extra"><br><div class="gmail_quote">2017-11-09 11:07 GMT+01:00 Alfio Lazzaro <span dir="ltr"><<a href="mailto:alfio....@gmail.com" target="_blank">alfio....@gmail.com</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dear Jörg,<div>we test CP2K against OpenBLAS in our regtests (see <a href="https://www.cp2k.org/static/regtest/trunk/ethz-s03/regtest-ssmp-current.out" target="_blank">https://www.cp2k.org/static/<wbr>regtest/trunk/ethz-s03/<wbr>regtest-ssmp-current.out</a>) by using the CP2K toolchain.</div><div>In particular, I see that we are using openblas-0.2.20 (same as you). I see in the toolchain script that we use </div><div><br></div><div><span style="font-family:monospace"><span style="color:rgb(0,0,0)">make -j $nprocs \ </span><br> USE_THREAD=1 \ <br> USE_OPENMP=1 \ <br> LIBNAMESUFFIX=omp \ <br> CC=$(basename $CC) \ <br> FC=$(basename $FC)<br>
<br></span></div><div><span style="font-family:monospace">I would suggest to try directly the toolchain and see if it works on your cluster...</span></div><span class="HOEnZb"><font color="#888888"><div><span style="font-family:monospace"><br></span></div><div><span style="font-family:monospace">Alfio</span></div></font></span><div><div class="h5"><div><span style="font-family:monospace"><br></span></div><div><br><br>Il giorno giovedì 9 novembre 2017 00:47:26 UTC+1, sassy ha scritto:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex">Dear all
<br>
<br>I am puzzled: I found a very strange behaviour when I am trying to build cp2k,
<br>both the latest release and the previous 4.x one, with OpenBLAS. Compiling and
<br>linking is all working fine but when I am running the regtests they almost all
<br>crash with this error message:
<br>
<br>dbcsr_tensor_unittest.out
<br>
<br>Program received signal SIGSEGV: Segmentation fault - invalid memory
<br>reference.
<br>
<br>Backtrace for this error:
<br>#0 0x63d08d in ???
<br>#1 0x63c72d in ???
<br>#2 0x6b97ef in ???
<br> at /build/glibc-p3Km7c/glibc-2.24<wbr>/nptl/../sysdeps/unix/sysv/lin<wbr>ux/
<br>x86_64/sigaction.c:0
<br>#3 0x0 in ???
<br>EXIT CODE: 139 MEANING: RUNTIME FAIL
<br>
<br>
<br>Thus, I was using an older ATLAS build to narrow down the problem and loo and
<br>behold, now the regtests are working. I am currently trying out the ssmp build
<br>as that is for my desktop machine and I reasoned that threading might be
<br>better there than MPI.
<br>Incidentally, the same problem happens when I am using the 4.x version and
<br>OpenMPI. I am using OpenBLAS-0.2.20.
<br>
<br>Has somebody noticed that before or am I doing something completely wrong on
<br>two different clusters?
<br>I am using gfortran-6.3.0 for the ssmp build just in case that might be a
<br>problem and OpenBLAS was build like that:
<br>
<br>$ make DYNAMIC_ARCH=1 USE_THREAD=0
<br>
<br>For ATLAS I am using the serial build as well. I am using the provided Linux-
<br>x86-64-gfortran-ssmp makefile, obviously changed the paths to reflect my
<br>environment and removed the -static flag.
<br>
<br>Please let me know if you need more information but I find that strange.
<br>
<br>All the best from a cold London
<br>
<br>Jörg
<br>
<br>
<br></blockquote></div></div></div></div><div class="HOEnZb"><div class="h5">
<p></p>
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</div></div></blockquote></div><br><br clear="all"><br>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr">-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-<br> Ari Paavo Seitsonen / <a href="mailto:Ari.P.S...@iki.fi" target="_blank">Ari.P.S...@iki.fi</a> / <a href="http://www.iki.fi/~apsi/" target="_blank">http://www.iki.fi/~apsi/</a><br> Ecole Normale Supérieure (ENS), Département de Chimie, Paris<br> Mobile (F) : +33 789 37 24 25 (CH) : +41 79 71 90 935<br></div></div></div></div></div></div>
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