<div dir="ltr"><div><div>OK -- there was an issue with cuda driver. And now I fixed(?) them and the compilation step is done without any error messages. But I get the following error messages when I type: >>./cp2k.ssmp --help<br><br><div style="margin-left:40px"><span style="color:rgb(0,0,255)"><span style="background-color:rgb(255,255,255)">[nexus@localhost local_cuda]$ ./cp2k.ssmp -h<br>modprobe: ERROR: ctx=0x2074010 path=/lib/modules/3.10.0-327.18.2.el7.x86_64/weak-updates/nvidia.ko error=No such file or directory<br>modprobe: ERROR: ctx=0x2074010 path=/lib/modules/3.10.0-327.18.2.el7.x86_64/weak-updates/nvidia.ko error=No such file or directory<br>modprobe: ERROR: could not insert 'nvidia_uvm': Unknown symbol in module, or unknown parameter (see dmesg)<br>CUDA Error: unknown error<br><br> *******************************************************************************<br> * ___ *<br> * / \ *<br> * [ABORT] *<br> * \___/ acc_get_ndevices: failed *<br> * | *<br> * O/| *<br> * /| | *<br> * / \ acc/acc_device.F:58 *<br> *******************************************************************************<br><br><br> ===== Routine Calling Stack ===== <br><br><br>Program received signal SIGAB<span style=""></span>RT: Process abort signal.<br><br>Backtrace for this error:<br>#0 0x7FAA94755467<br>#1 0x7FAA94755AAE<br>#2 0x7FAA9382866F<br>#3 0x7FAA938285F7<br>#4 0x7FAA93829CE7<br>#5 0x244DBF8 in __message_passing_MOD_mp_abort at message_passing.F:1032<br>#6 0x24A7E1E in __base_hooks_MOD_cp_abort at base_hooks.F:68<br>#7 0x24A7FEB in __base_hooks_MOD_cp(bool) at base_hooks.F:155<br>#8 0x22F25FD in __acc_device_MOD_acc_get_ndevices at acc_device.F:58<br>#9 0xEC478C in __f77_interface_MOD_init_cp2k at f77_interface.F:258<br>#10 0x46DC7F in cp2k at cp2k.F:186<br>Aborted (core dumped)<br></span></span></div><br></div>Any idea?<br><br></div>Greg<br><div><div><div><br></div></div></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Thu, May 26, 2016 at 1:26 PM, Yongchul G. Chung <span dir="ltr"><<a href="mailto:yxc...@case.edu" target="_blank">yxc...@case.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">I already have a cuda driver installed under /usr/local/cuda<br><br>Greg<span class=""><br><br>On Thursday, May 26, 2016 at 1:06:00 PM UTC+9, Huiqun Zhou wrote:</span><blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><span class=""><p>You need to check whether you have installed NVIDIA toolkit and a suitable</p><p>graphics driver. Do you have somethink like /usr/local/cuda-x.y (say, cuda-7.5)?</p><p>Huiqun Zhou</p><div> </div></span><div><div style="color:rgb(0,0,0)"><div style="padding:2px 0px;font-family:Arial Narrow;font-size:12px"> </div><div style="background:rgb(239,239,239);padding:8px;font-size:12px"><div><b>From: </b> "Yongchul G. Chung"<<a rel="nofollow">yxc...@case.edu</a>>;</div><span class=""><div><b>Date: </b> Thu, May 26, 2016 10:44 AM</div></span><div><b>To: </b> "cp2k"<<a rel="nofollow">cp...@googlegroups.com</a>>; </div><div><div class="h5"><div></div><div><b>Subject: </b> [CP2K:7792] CP2K 4.0-dev version compilation fail with CUDA (cannotfind -lcudart -lcufft -lcublas)</div></div></div></div><div><div class="h5"><div> </div><div dir="ltr">Hi,<br><br>I am trying to install cuda-enabled version of CP2K on CentOS 7.2. My machine has NVIDIA Quadro M4000 8GB and dual Intel xenon E5-2640 v3.<br><br>I am using toolchain script to install dependency libraries with the following command.<br><br><span style="font-family:courier new,monospace">./install_cp2k_toolchain.sh --enable-cuda=yes</span><br><br>After the dependencies install successfully, I get the following prompt.<br><br><div style="margin-left:40px"><span style="color:rgb(0,0,255)">Done!<br>Now copy:<br> cp /home/nexus/cp2k/cp2k/tools/toolchain/install/arch/* to the cp2k/arch/ directory<br>To use the installed tools and libraries and cp2k version<br>compiled with it you will first need to execute at the prompt:<br> source /home/nexus/cp2k/cp2k/tools/toolchain/install/setup<br>To build CP2K you should change directory:<br> cd cp2k/makefiles/<br> make -j 16 ARCH=local VERSION="sopt sdbg ssmp"<br><br>arch files for GPU enabled CUDA versions are named "local_cuda.*"<br>arch files for valgrind versions are named "local_valgrind.*"<br>arch files for coverage versions are named "local_coverage.*"</span><br></div><br>After copying the generated arch files and issuing source /home/nexus/cp2k/cp2k/tools/toolchain/install/setup, I go to the makefile directory and issue the following command which results in an error.<br><br>>> make -j 16 ARCH=local_cuda VERSION=ssmp<br><br><div style="margin-left:40px"><span style="color:rgb(0,0,255)">gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -fopenmp -I'/home/nexus/cp2k/cp2k/tools/toolchain/install/openblas-0.2.18/include' -I'/home/nexus/cp2k/cp2k/tools/toolchain/install/fftw-3.3.4/include' -I'/home/nexus/cp2k/cp2k/tools/toolchain/install/libint-1.1.4/include' -I'/home/nexus/cp2k/cp2k/tools/toolchain/install/libxc-2.2.2/include' -I'/home/nexus/cp2k/cp2k/tools/toolchain/install/libxsmm-1.4.3/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=uninitialized -Wno-maybe-uninitialized -D__ACC -D__DBCSR_ACC -D__PW_CUDA -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__COMPILE_ARCH="\"local_cuda\"" -D__COMPILE_DATE="\"Thu May 26 11:32:39 KST 2016\"" -D__COMPILE_HOST="\"localhost.localdomain\"" -D__COMPILE_REVISION="\"svn:16944\"" -D__DATA_DIR="\"/home/nexus/cp2k/cp2k/data\"" -D__SHORT_FILE__="\"common/xml_parser.F\"" /home/nexus/cp2k/cp2k/src/common/xml_parser.F <br>/usr/bin/ld: cannot find -lcudart<br>/usr/bin/ld: cannot find -lcufft<br>/usr/bin/ld: cannot find -lcublas<br>collect2: error: ld returned 1 exit status<br>make[3]: *** [/home/nexus/cp2k/cp2k/exe/local_cuda/libcusmm_unittest.ssmp] Error 1<br>make[3]: *** Waiting for unfinished jobs....<br>make[2]: *** [all] Error 2<br>make[1]: *** [ssmp] Error 2<br>make: *** [all] Error 2<br>[nexus@localhost makefiles]$ </span><br></div><br>Note that I was able to compile binary without CUDA support (<span style="font-family:courier new,monospace">make -j 16 ARCH=local VERSION=ssmp</span>), but it looks like there is something wrong with CUDA support. This probably has to do with the location of dependency libraries (or lack there of?), but would appreciate if anyone can help me with resolving this issue.<br><br>Thanks,<br>Greg<br></div>
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