Hi, For NVIDIA GPUs you should use their drivers and a CUDA build. It looks like you are using other drivers and an OpenCL build, which is completely untested.
Mark On Mon, 20 Nov 2017 06:51 Ragothaman Yennamalli <ragotha...@gmail.com> wrote: > Hi, > I have been reading this ( > > http://manual.gromacs.org/documentation/5.1/user-guide/mdrun-performance.html > ) > and trying to run mdrun in a GPU based system. Unfortunately, I don't > understand what the error is and how to troubleshoot it. Copy pasted below > is the output I got for gmx mdrun. > > I tried assigning the GPU ids using the examples provided in the link above > but have been unsuccessful. Please help me in troubleshooting this. > > Thanks and Regards, > Raghu > > [student@localhost test]$ gmx mdrun -v -deffnm em > :-) GROMACS - gmx mdrun, 2016.4 (-: > > GROMACS is written by: > Emile Apol Rossen Apostolov Herman J.C. Berendsen Par > Bjelkmar > Aldert van Buuren Rudi van Drunen Anton Feenstra Gerrit Groenhof > Christoph Junghans Anca Hamuraru Vincent Hindriksen Dimitrios > Karkoulis > Peter Kasson Jiri Kraus Carsten Kutzner Per Larsson > Justin A. Lemkul Magnus Lundborg Pieter Meulenhoff Erik Marklund > Teemu Murtola Szilard Pall Sander Pronk Roland Schulz > Alexey Shvetsov Michael Shirts Alfons Sijbers Peter Tieleman > Teemu Virolainen Christian Wennberg Maarten Wolf > and the project leaders: > Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel > > Copyright (c) 1991-2000, University of Groningen, The Netherlands. > Copyright (c) 2001-2017, The GROMACS development team at > Uppsala University, Stockholm University and > the Royal Institute of Technology, Sweden. > check out http://www.gromacs.org for more information. > > GROMACS is free software; you can redistribute it and/or modify it > under the terms of the GNU Lesser General Public License > as published by the Free Software Foundation; either version 2.1 > of the License, or (at your option) any later version. > > GROMACS: gmx mdrun, version 2016.4 > Executable: /usr/bin/gmx > Data prefix: /usr > Working dir: /home/student/test > Command line: > gmx mdrun -v -deffnm em > > > Back Off! I just backed up em.log to ./#em.log.6# > X server found. dri2 connection failed! > DRM_IOCTL_I915_GEM_APERTURE failed: Invalid argument > Assuming 131072kB available aperture size. > May lead to reduced performance or incorrect rendering. > get chip id failed: -1 [22] > param: 4, val: 0 > DRM_IOCTL_I915_GEM_APERTURE failed: Invalid argument > Assuming 131072kB available aperture size. > May lead to reduced performance or incorrect rendering. > get chip id failed: -1 [22] > param: 4, val: 0 > X server found. dri2 connection failed! > DRM_IOCTL_I915_GEM_APERTURE failed: Invalid argument > Assuming 131072kB available aperture size. > May lead to reduced performance or incorrect rendering. > get chip id failed: -1 [22] > param: 4, val: 0 > DRM_IOCTL_I915_GEM_APERTURE failed: Invalid argument > Assuming 131072kB available aperture size. > May lead to reduced performance or incorrect rendering. > get chip id failed: -1 [22] > param: 4, val: 0 > cl_get_gt_device(): error, unknown device: 0 > X server found. dri2 connection failed! > DRM_IOCTL_I915_GEM_APERTURE failed: Invalid argument > Assuming 131072kB available aperture size. > May lead to reduced performance or incorrect rendering. > get chip id failed: -1 [22] > param: 4, val: 0 > DRM_IOCTL_I915_GEM_APERTURE failed: Invalid argument > Assuming 131072kB available aperture size. > May lead to reduced performance or incorrect rendering. > get chip id failed: -1 [22] > param: 4, val: 0 > X server found. dri2 connection failed! > DRM_IOCTL_I915_GEM_APERTURE failed: Invalid argument > Assuming 131072kB available aperture size. > May lead to reduced performance or incorrect rendering. > get chip id failed: -1 [22] > param: 4, val: 0 > DRM_IOCTL_I915_GEM_APERTURE failed: Invalid argument > Assuming 131072kB available aperture size. > May lead to reduced performance or incorrect rendering. > get chip id failed: -1 [22] > param: 4, val: 0 > cl_get_gt_device(): error, unknown device: 0 > X server found. dri2 connection failed! > DRM_IOCTL_I915_GEM_APERTURE failed: Invalid argument > Assuming 131072kB available aperture size. > May lead to reduced performance or incorrect rendering. > get chip id failed: -1 [22] > param: 4, val: 0 > DRM_IOCTL_I915_GEM_APERTURE failed: Invalid argument > Assuming 131072kB available aperture size. > May lead to reduced performance or incorrect rendering. > get chip id failed: -1 [22] > param: 4, val: 0 > cl_get_gt_device(): error, unknown device: 0 > X server found. dri2 connection failed! > DRM_IOCTL_I915_GEM_APERTURE failed: Invalid argument > Assuming 131072kB available aperture size. > May lead to reduced performance or incorrect rendering. > get chip id failed: -1 [22] > param: 4, val: 0 > DRM_IOCTL_I915_GEM_APERTURE failed: Invalid argument > Assuming 131072kB available aperture size. > May lead to reduced performance or incorrect rendering. > get chip id failed: -1 [22] > param: 4, val: 0 > cl_get_gt_device(): error, unknown device: 0 > > Running on 1 node with total 4 cores, 8 logical cores, 2 compatible GPUs > Hardware detected: > CPU info: > Vendor: Intel > Brand: Intel(R) Xeon(R) CPU E5-1620 v3 @ 3.50GHz > SIMD instructions most likely to fit this hardware: AVX2_256 > SIMD instructions selected at GROMACS compile time: SSE2 > > Hardware topology: Full, with devices > GPU info: > Number of GPUs detected: 2 > #0: name: NV106, vendor: NVIDIA, device version: OpenCL 1.1 Mesa > 17.1.3, stat: compatible > #1: name: NVF1, vendor: NVIDIA, device version: OpenCL 1.1 Mesa 17.1.3, > stat: compatible > > Compiled SIMD instructions: SSE2, GROMACS could use AVX2_256 on this > machine, which is better. > > > The current CPU can measure timings more accurately than the code in > gmx mdrun was configured to use. This might affect your simulation > speed as accurate timings are needed for load-balancing. > Please consider rebuilding gmx mdrun with the GMX_USE_RDTSCP=ON CMake > option. > > Reading file em.tpr, VERSION 2016.4 (single precision) > Using 2 MPI threads > Using 4 OpenMP threads per tMPI thread > > 2 compatible GPUs are present, with IDs 0,1 > 2 GPUs auto-selected for this run. > Mapping of GPU IDs to the 2 PP ranks in this node: 0,1 > > > ------------------------------------------------------- > Program: gmx mdrun, version 2016.4 > > ------------------------------------------------------- > Program: gmx mdrun, version 2016.4 > Source file: src/gromacs/gpu_utils/ocl_compiler.cpp (line 273) > Function: size_t gmx::ocl::getWarpSize(cl_context, cl_device_id) > Source file: src/gromacs/gpu_utils/ocl_compiler.cpp (line 273) > Function: size_t gmx::ocl::getWarpSize(cl_context, cl_device_id) > MPI rank: 0 (out of 2) > > Internal error (bug): > MPI rank: 1 (out of 2) > > Internal error (bug): > Failed to compile NBNXN kernels for GPU #NV106 > Could not build OpenCL program to determine warp size, error was > CL_BUILD_PROGRAM_FAILURE > Failed to compile NBNXN kernels for GPU #NVF1 > Could not build OpenCL program to determine warp size, error was > CL_BUILD_PROGRAM_FAILURE > > For more information and tips for troubleshooting, please check the GROMACS > website at http://www.gromacs.org/Documentation/Errors > ------------------------------------------------------- > > For more information and tips for troubleshooting, please check the GROMACS > website at http://www.gromacs.org/Documentation/Errors > ------------------------------------------------------- > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? 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