<div dir="ltr">Hi,<div>According to the CUDA documents I found, the driver CUDA support version and installed (or loaded) CUDA runtime version can be different.</div><div>It should work as long as the CUDA runtime version <= driver CUDA support version for backward compatibility.</div><div>And again, the error I got from CUDA runtime 12.2 and 11.7 are identical.</div><div>I'm trying to change the --gpu-ver values and see if if works.</div><div> </div><div>Mike</div></div> <div class="gmail_quote"><div dir="ltr" class="gmail_attr">Krack Matthias <<a href="mailto:matthias.krack@psi.ch">matthias.krack@psi.ch</a>> 於 2024年2月26日週一下午9:06寫道： </div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div class="msg4048358605615673235"> <div lang="en-CH" style="overflow-wrap: break-word;"> <div class="m_4048358605615673235WordSection1"> Hi This looks like an issue with the CUDA installation. You load the module cuda/11.7.1, whereas nvidia-smi returns “CUDA Version 12.2”. Maybe, that’s something to check. Best Matthias <div id="m_4048358605615673235mail-editor-reference-message-container"> <div> <div style="border-right:none;border-bottom:none;border-left:none;border-top:1pt solid rgb(181,196,223);padding:3pt 0cm 0cm"> From: <a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a> <<a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a>> on behalf of Mike Chen <<a href="mailto:mike.scchen@gmail.com" target="_blank">mike.scchen@gmail.com</a>> Date: Sunday, 25 February 2024 at 14:03 To: cp2k <<a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a>> Subject: [CP2K:19967] Built cuda.ssmp version successfully but failed on regtest </div> Hi all, I'm trying to build cuda_ssmp version of CP2K 2024.1, without the MPI support (not really necessary since the machine has only one GPU card?). The build process goes well, but the regtest failed as: [root@gpu01 cp2k-2024.1]# make ARCH=local_cuda VERSION=ssmp test (......) ========= Python (ssmp) ========= /usr/bin/env python3 --version Python 3.6.8 ----------------------- External Modules --------------------------------- DBCSR Version: 2.6.0 (2023-07-10) ---------------------------- Modules ------------------------------------- Currently Loaded Modulefiles: 1) gcc-9.5.0/gcc 2) cuda/11.7.1 3) tools/cmake-3.28.1 4) tools/git-2.43.0 *************************** Testing started **************************** ERROR: cuInit failed with error: 999 /cluster/bld/cp2k-2024.1/src/offload/offload_library.c 57 Program received signal SIGABRT: Process abort signal. Backtrace for this error: #0 0x7f8837d243ff in ??? #1 0x7f8837d24387 in ??? #2 0x7f8837d25a77 in ??? #3 0x30fe53b in offload_init at /cluster/bld/cp2k-2024.1/src/offload/offload_library.c:58 #4 0xaf6e0b in __f77_interface_MOD_init_cp2k at /cluster/bld/cp2k-2024.1/src/f77_interface.F:234 #5 0x455f88 in cp2k at /cluster/bld/cp2k-2024.1/src/start/cp2k.F:284 #6 0x40ebdc in main at /cluster/bld/cp2k-2024.1/src/start/cp2k.F:44 Could not parse feature flags. The machine has a RTX A6000 card, and CUDA toolkit 12.3.2 was used: +---------------------------------------------------------------------------------------+ | NVIDIA-SMI 545.23.08 Driver Version: 545.23.08 CUDA Version: 12.3 | |-----------------------------------------+----------------------+----------------------+ | GPU Name Persistence-M | Bus-Id Disp.A | Volatile Uncorr. ECC | | Fan Temp Perf Pwr:Usage/Cap | Memory-Usage | GPU-Util Compute M. | | | | MIG M. | |=========================================+======================+======================| | 0 NVIDIA RTX A6000 Off | 00000000:3B:00.0 Off | Off | | 30% 36C P0 67W / 300W | 2MiB / 49140MiB | 2% Default | | | | N/A | +-----------------------------------------+----------------------+ The OS is CentOS 7.9, and I used a source-built GCC 9.5.0 as loadable module. The toolchain was built with: ./install_cp2k_toolchain.sh --mpi-mode=no --with-cmake=system -j 16 --enable-cuda=yes --gpu-ver=A100 and then in the CP2K source folder: make -j 16 ARCH=local_cuda VERSION=ssmp However, the CPU ssmp version (ARCH=local) was built and can pass all the regtests successfully. Any suggestions on making the CUDA version works? Mike -- You received this message because you are subscribed to the Google Groups "cp2k" group. 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