Tag: CMake

Can’t Access Multiple GPUs when Using PPPM GPU Acceleration – LAMMPS

Dear developers and user, I’m running the simulation using an unmodified LAMMPS (2 Aug 2023) version. I want to use multiple GPUs and CUDA API to accelerate the PPPM alogrithm. However, I can’t access more than one GPU when running program. I have tried numerous ways to solve this problem,…

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Installation with GPU – User discussions

GROMACS version: 2023.3GROMACS modification: Yes/NoHere post your question Im trying to install gromacs with SYCL GPU suport using $ cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPU=SYCL -DGMX_SYCL_HIPSYCL=on but I got the error CMake Error at cmake/gmxManageSYCL.cmake:77 (message):HipSYCL build requires Clang compiler, but GNU is usedCall Stack (most recent call first):CMakeLists.txt:667 (include) and…

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132releng-armv7-default][misc/py-pytorch] Failed for py39-pytorch-2.1.1_1 in configure

You are receiving this mail as a port that you maintain is failing to build on the FreeBSD package build server. Please investigate the failure and submit a PR to fix build. Maintainer: y…@freebsd.org Log URL: pkg-status.freebsd.org/ampere3/data/132releng-armv7-default/1dd4264fe4a8/logs/py39-pytorch-2.1.1_1.log Build URL: pkg-status.freebsd.org/ampere3/build.html?mastername=132releng-armv7-default&build=1dd4264fe4a8 Log: =>> Building misc/py-pytorch build started at Tue Dec 19…

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Pytorch installation error – General Topics and Other SDKs

Hi ,i have upgrade my cuda from 11,4 to 12.2 using the following steps:wget developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/arm64/cuda-keyring_1.1-1_all.debsudo dpkg -i cuda-keyring_1.1-1_all.debsudo apt-get updatesudo apt-get -y install cudasudo gedit ~/.bashrcexport PATH=/usr/local/cuda-12.2/bin${PATH:+:${PATH}}export LD_LIBRARY_PATH=/usr/local/cuda-12.2/${LD_LIBRARY_PATH:+:${LD_LIBRARY_PATH}}source ~/.bashrc after that i am ablr=e to clone the pytorch using the following steps: git clone –recursive –branch v2.1.1 github.com/pytorch/pytorch export USE_NCCL=0…

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ncs v2.5.0 linker error when setting CONFIG_BOOTLOADER_MCUBOOT – Nordic Q&A – Nordic DevZone

Hello, I currently have an app using nRF Connect SDK v2.5.0. To enable FOTA I set CONFIG_NCS_SAMPLE_MCUMGR_BT_OTA_DFU and CONFIG_BOOTLOADER_MCUBOOT in my prj.conf (following the documentation instructions). After this building the app fails during linking for 3 different undefined references: [275/280] Linking C executable zephyr/zephyr_pre0.elf FAILED: zephyr/zephyr_pre0.elf zephyr/zephyr_pre0.map : && ccache /home/q/app/zephyr_workspace/toolchains/7795df4459/opt/zephyr-sdk/arm-zephyr-eabi/bin/arm-zephyr-eabi-gcc…

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Gromacs 2023.3 on Apple M3 chip – User discussions

GROMACS version: 2023.3GROMACS modification: No Hi folks I know that there have been several threads on running Gromacs with Apple M1 and M1 or M2 chips (e.g. Error compiling Gromacs 2023’s checks on Mac M2), but I recently got a MacBook Pro with the M3 chip, so I was interested…

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Installation error Gromacs 2023.3 – User discussions

GROMACS version:2023.3GROMACS modification: NoHere post your questionI am trying to install the Cuda version of Gromacs. However, I am getting the following error after executing cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPU=CUDA -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda. Error : [ 98%] Linking CXX executable …/…/…/bin/argon-forces-integration/bin/ld: /home/saikat/softwares/gromacs-2023.3/build/lib/libgromacs.so.8: undefined reference to srot_’ /bin/ld: /home/saikat/softwares/gromacs-2023.3/build/lib/libgromacs.so.8: undefined reference to strsm_’collect2:…

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pytorch 2.2.0-rc1 – Download, Browsing & More

pytorch 2.2.0-rc1 – Download, Browsing & More | Fossies Archive “Fossies” – the Fresh Open Source Software Archive Contents of pytorch-2.2.0-rc1.tar.gz (7 Dec 00:30, 118528815 Bytes) About: PyTorch provides Tensor computation (like NumPy) with strong GPU acceleration and Deep Neural Networks (in Python) built on a tape-based autograd system. Release…

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Panic: Could not run ‘torchvision::roi_pool’ with arguments from the ‘CUDA’ backend – Jetson Nano

Hi, Team! I have such errors, when I run my code in docker container: root@de87551d73cf:/app/src# ./main WARN[0032] CUDA is valid WARN[0044] CUDA is valid INFO[0044] Forwarding… [W TensorImpl.h:1156] Warning: Named tensors and all their associated APIs are an experimental feature and subject to change. Please do not use them for…

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Trouble installing Electrode Package using traditional make – LAMMPS Installation

dlee5 December 4, 2023, 2:37am 1 Hello, I am new to LAMMPS, and I am using the stable 2, August 2023 version. I am trying to build LAMMPS using make mpi, and I have the Molecule, Manybody, KSPACE, and Rigid packages installed. I am trying to install the Electrode Package….

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Issue with Accessing Thermo Data in Pylammps – LAMMPS Installation

Dear members of the LAMMPS mailing list, I have been attempting to build and install the LAMMPS Python interface (Pylammps) to leverage the advantages of accessing thermos data. However, I am encountering the following error: Based on my understanding from the documentation, if I set up a simulation with a…

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TVM Monthly – November 2023 – Announcement

Note: This monthly report contains main branch only. As discussed by the TVM PMC, our goal is to provide a monthly summary of the project so users and developers can get a better understanding of the goings on of the TVM community. Feedback and suggestions are welcomed so that we…

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nrfConnect 2.5.0: mbedTLS fails to compile (calloc()) – Nordic Q&A – Nordic DevZone

Hi there: we’ve just updated from nrfConnect 2.3.0 to nrfConnect 2.5.0 and mbedTLS (which seems to have been modified in nrfConnect 2.5.0) now fails to link (in platform.c) because it needs and is unable to find calloc(): /home/arm_embedded_gcc-10-2020-q4-major/bin/ld.bfd: modules/mbedtls/libmbedTLSBase.a(platform.c.obj):/home/nrfconnectsdk-v2.5.0/modules/crypto/mbedtls/library/platform.c:56: undefined reference to `calloc’ As you can see, we are just compiling…

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GROMACS 2020 make error when installation – User discussions

jane_hi November 30, 2023, 9:57pm 1 Hi, I got an error when I install gromacs 2020 on windows subsystem of linuxThe scripts I ran are: wget [ftp.gromacs.org/gromacs/gromacs-2020.tar.gz] tar xfz gromacs-2020.tar.gz cd gromacs-2020/ mkdir build cd build/ sudo apt-get install -y fftw3 cmake … -DGMX_BUILD_OWN_FFTW=ON -DGMX_GPU=CUDA -DCMAKE_PREFIX_PATH=/home/GMX DGMX_FFT_LIBRARY=fftw3 -DCMAKE_C_COMPILER=gcc -DCMAKE_CXX_COMPILER=g++ make…

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Building Pytorch for Conda from source with GLIBCXX_USE_CXX11_ABI=1

GdMacmillan (Gordon MacMillan) November 26, 2023, 4:17pm 1 Before I begin, I’ve checked the topics similar to this one and they all have linking issues and PR’s that are outdated. I am attempting to compile the libtorch binaries and build pytorch from source with GLIBCXX_USE_CXX11_ABI=1 The reason for this, I…

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Bug in element-wise multiplication of `torch.sparse_csr_tensor`s on GPU – 0’s in result considered significant

🐛 Describe the bug Problem:The problem occurs when using the PyTorch version 2.1.1. The result of element-wise multiplication between two torch.sparse_csr_tensors consider 0s as significant values and retain them in their sparse form. This is not the expected behavior. Moreover, this bug occurs only when the operation is run on…

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Compiling Deep-md with GROMACS – User discussions

GROMACS version: 2020.2GROMACS modification: Yes/NoI was trying to install Deep-md with GROMACS following the link1.6. Install GROMACS with DeepMD — DeePMD-kit documentation. To do this, I have followed the link to install Deep-MD: 1.2. Install from source code — DeePMD-kit documentationHere I have successfully completed the 1.2.1 ( install-the-python-interface) and…

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HDF5 brew issue // conda installation issue

I have used kallisto in the past, but now am struggling to get bootstrapping to work on a new computer (MacBook M1). I have searched through the issues that others encountered and tried three different methods of installation, but still no luck. Could you please help or direct me to…

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132amd64-default][science/votca] Failed for votca-2023 in package

You are receiving this mail as a port that you maintain is failing to build on the FreeBSD package build server. Please investigate the failure and submit a PR to fix build. Maintainer: y…@freebsd.org Log URL: pkg-status.freebsd.org/beefy16/data/132amd64-default/5b346a1c0cc2/logs/votca-2023.log Build URL: pkg-status.freebsd.org/beefy16/build.html?mastername=132amd64-default&build=5b346a1c0cc2 Log: =>> Building science/votca build started at Tue Nov 21…

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140releng-armv7-default][misc/py-pytorch] Failed for py39-pytorch-2.1.0 in configure

You are receiving this mail as a port that you maintain is failing to build on the FreeBSD package build server. Please investigate the failure and submit a PR to fix build. Maintainer: y…@freebsd.org Log URL: pkg-status.freebsd.org/ampere3/data/140releng-armv7-default/d5268d5f7157/logs/py39-pytorch-2.1.0.log Build URL: pkg-status.freebsd.org/ampere3/build.html?mastername=140releng-armv7-default&build=d5268d5f7157 Log: =>> Building misc/py-pytorch build started at Sun Nov 19…

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Error installation GPU OPENCL gromacs, Please help – User discussions

i get this error when i install gromacsben@ben-System-Product-Name:~/gromacs-2023.3/build$ cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON– GPU support with OpenCL is deprecated. It is still fully supported (and recommended for AMD, Intel, and Apple GPUs). It may be replaced by different approaches in future releases of GROMACS.CMake Error at cmake/gmxManageOpenCL.cmake:51 (message):OpenCL is not supported….

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Nccl_external fails while trying to compile pytroch from source – torch.compile

Hello, I’m trying to compile pytorch from source and encountering the following build error. $ CC=gcc-10 CXX=g++-10 python setup.py develop … [5995/6841] Linking CXX executable bin/HashStoreTest Warning: Unused direct dependencies: /home/netfpga/research/collective/pytorch/build/lib/libc10.so /home/netfpga/anaconda3/envs/pytorch_base/lib/libmkl_intel_lp64.so.1 /home/netfpga/anaconda3/envs/pytorch_base/lib/libmkl_gnu_thread.so.1 /home/netfpga/anaconda3/envs/pytorch_base/lib/libmkl_core.so.1 /lib/x86_64-linux-gnu/libdl.so.2 /home/netfpga/anaconda3/envs/pytorch_base/lib/libgomp.so.1 [5996/6841] Performing build step for ‘nccl_external’ FAILED: nccl_external-prefix/src/nccl_external-stamp/nccl_external-build nccl/lib/libnccl_static.a /home/netfpga/research/collective/pytorch/build/nccl_external-prefix/src/nccl_external-stamp/nccl_external-build /home/netfpga/research/collective/pytorch/build/nccl/lib/libnccl_static.a cd /home/netfpga/research/collective/pytorch/third_party/nccl/nccl &&…

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Installing C++ distributions of PyTorch on Windows – C++

mattpats (Matthew) November 15, 2023, 11:18pm 1 I have followed the instructions provided by Pytorch to installing C++ distributions of PyTorch: pytorch.org/cppdocs/installing.html However, this command produces an error: cmake –build . –config Release I have tried adjusting many things, and I always get an error. I am starting to wonder…

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Building from source a pytorch wheel file with all the dependencies and Cuda+Cudnn included; Linux+Python 3.7, Cuda=11.2+Cudnn=8.1

I want to build torch v1.12.1 from source and create wheel with all the dependencies included into the wheel file . Additionally, to force the inclusion of all the Cuda and Cudnn -related stuff from my system into the wheel file. Similar task goes for torchvision v0.13.1.I have Ubuntu 22.04…

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c++ – Is it possible to use Libtorch with VS Code?

I have followed the instructions provided by Pytorch to installing C++ distributions of PyTorch: pytorch.org/cppdocs/installing.html However, this command produces an error: cmake –build . –config Release I have tried adjusting many things, and I always get an error. I am starting to wonder if it is even possible to do…

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132arm64-default][science/votca] Failed for votca-2022.1_1 in build

You are receiving this mail as a port that you maintain is failing to build on the FreeBSD package build server. Please investigate the failure and submit a PR to fix build. Maintainer: y…@freebsd.org Log URL: pkg-status.freebsd.org/ampere3/data/132arm64-default/d5268d5f7157/logs/votca-2022.1_1.log Build URL: pkg-status.freebsd.org/ampere3/build.html?mastername=132arm64-default&build=d5268d5f7157 Log: =>> Building science/votca build started at Fri Nov 10…

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molecular dynamics – Issue building deepmd kit for a plugin version of LAMMPS

I am following the deepmd-kit documentation to implement this kit into a plugin version of LAMMPS, the documentation I am using is found here and here. I am close to completing everything, but am having issues when trying to install the deepmd-kit C++ interface. I know from the documentation, I…

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In CMake for CUDA developent, how can I control gencode options?

I am configuring the project using CMakeLists.txt generated nvcc compile options for gencode, it contains almost all the arch options like the below. -gencode arch=compute_52,code=sm_52 -gencode arch=compute_60,code=sm_60 -gencode arch=compute_61,code=sm_61 -gencode arch=compute_70,code=sm_70 -gencode arch=compute_75,code=sm_75 -gencode arch=compute_80,code=sm_80 -gencode arch=compute_86,code=sm_86 -gencode arch=compute_90,code=sm_90 -gencode arch=compute_90,code=compute_90 I want only -gencode arch=compute_80,code=sm_80 How can I prevent…

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140releng-armv7-default][misc/py-pytorch] Failed for py39-pytorch-2.0.1 in configure

You are receiving this mail as a port that you maintain is failing to build on the FreeBSD package build server. Please investigate the failure and submit a PR to fix build. Maintainer: y…@freebsd.org Log URL: pkg-status.freebsd.org/ampere3/data/140releng-armv7-default/08943441f26e/logs/py39-pytorch-2.0.1.log Build URL: pkg-status.freebsd.org/ampere3/build.html?mastername=140releng-armv7-default&build=08943441f26e Log: =>> Building misc/py-pytorch build started at Thu Nov 2…

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GPU problems with gromacs 2023 – User discussions

GROMACS version: 2023.2 / 2023.3GROMACS modification: No Hi, im having issues on using the GPU for running simulations with GROMACS 2023.2. whenever i try to use the ¨mdrun” command, the following error appears: Program: gmx mdrun, version 2023.2Source file: src/gromacs/gpu_utils/devicebuffer.cuh (line 91)Function: freeDeviceBuffer<float>(float*)::<lambda()>** Assertion failed:Condition: stat == cudaSuccessFreeing of the…

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Help me installing Gromacs – User discussions

GROMACS version: 2023.3GROMACS modification: Yes/NoHere post your questionHello guys . I have tried installing Gromacs but it’s taking too long . It’s getting installed for three days and not yet installed . I don’t know what to do .The process i did was First step : installing Ubuntu Second step…

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Bug#1054792: lammps: FTBFS: dh_install: error: missing files, aborting

Source: lammps Version: 20220106.git7586adbb6a+ds1-2 Severity: serious Justification: FTBFS Tags: trixie sid ftbfs User: lu…@debian.org Usertags: ftbfs-20231027 ftbfs-trixie Hi, During a rebuild of all packages in sid, your package failed to build on amd64. Relevant part (hopefully): > make[2]: Entering directory ‘/<<PKGBUILDDIR>>/debian/build’ > make[2]: Nothing to be done for ‘preinstall’. >…

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Marquardt GmbH NH1

[pdf] Label Breu Stefan Label Marquardt GmbH NH1 NFC Door handle IYZNH1 nh1 …lang: score:43 filesize: 145.43 K page_count: 1 document date: 2023-10-16 [pdf] Agent Authorization 20221110161012408 RebelloA Letter of Agency Marquardt GmbH NH1 NFC Door handle IYZNH1 nh1 …lang: score:42 filesize: 206.66 K page_count: 1 document date: 2022-11-10 [pdf]…

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How to apply c++ code after successful pytorch android build? – torch.compile

pytorch build for android was completed as follows. $ ANDROID_NDK=…/android-ndk-r21e $ ANDROID_ABI=”arm64-v8a” $ cd scripts $ ./build_android.sh … (long time) … [100%] Linking CXX static library ../lib/libtorch.a [100%] Built target torch Install the project… — Install configuration: “Release” Installation completed, now you can copy the headers/libs from /mnt/HDD_2TB/greenfish/pytorch_build/work.trial9/pytorch/build_android/install to your…

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Gromacs 2023 installation issue, slower run with gmx_mpi on multiple nodes – User discussions

GROMACS version: 2023GROMACS modification: NoHere post your question I am trying to install Gromacs 2023 on an HPC and hoping to do it correctly to get highest performance possible. HPC has Dual Intel Xeon Gold Skylake 6154 (3.0 GHz, 18-core) processors and Dual NVIDIA Tesla V100 PCIe 16 GB Computational…

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pytorch 2.1.1-rc2 – Download, Browsing & More

pytorch 2.1.1-rc2 – Download, Browsing & More | Fossies Archive “Fossies” – the Fresh Open Source Software Archive Contents of pytorch-2.1.1-rc2.tar.gz (25 Oct 21:49, 116319191 Bytes) About: PyTorch provides Tensor computation (like NumPy) with strong GPU acceleration and Deep Neural Networks (in Python) built on a tape-based autograd system. Release…

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Object detection reference training scripts

{“payload”:{“allShortcutsEnabled”:false,”path”:”references/detection”,”repo”:{“id”:73328905,”defaultBranch”:”main”,”name”:”vision”,”ownerLogin”:”pytorch”,”currentUserCanPush”:false,”isFork”:false,”isEmpty”:false,”createdAt”:”2016-11-09T23:11:43.000Z”,”ownerAvatar”:”https://avatars.githubusercontent.com/u/21003710?v=4″,”public”:true,”private”:false,”isOrgOwned”:true},”currentUser”:null,”refInfo”:{“name”:”main”,”listCacheKey”:”v0:1697152646.0″,”canEdit”:false,”refType”:”branch”,”currentOid”:”3fb88b3ef1ee8107df74ca776cb57931fe3e9e1e”},”tree”:{“items”:[{“name”:”README.md”,”path”:”references/detection/README.md”,”contentType”:”file”},{“name”:”coco_eval.py”,”path”:”references/detection/coco_eval.py”,”contentType”:”file”},{“name”:”coco_utils.py”,”path”:”references/detection/coco_utils.py”,”contentType”:”file”},{“name”:”engine.py”,”path”:”references/detection/engine.py”,”contentType”:”file”},{“name”:”group_by_aspect_ratio.py”,”path”:”references/detection/group_by_aspect_ratio.py”,”contentType”:”file”},{“name”:”presets.py”,”path”:”references/detection/presets.py”,”contentType”:”file”},{“name”:”train.py”,”path”:”references/detection/train.py”,”contentType”:”file”},{“name”:”transforms.py”,”path”:”references/detection/transforms.py”,”contentType”:”file”},{“name”:”utils.py”,”path”:”references/detection/utils.py”,”contentType”:”file”}],”templateDirectorySuggestionUrl”:null,”readme”:{“displayName”:”README.md”,”richText”:” \n This folder contains reference training scripts for object detection.\nThey serve as a log of how to train specific models, to provide baseline\ntraining and evaluation scripts to quickly bootstrap research. \n To execute the example commands below you must install the following: \n cython\npycocotools\nmatplotlib\n \n You must modify the…

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main-powerpc64le-default][misc/pytorch] Failed for pytorch-1.13.1_1 in build

You are receiving this mail as a port that you maintain is failing to build on the FreeBSD package build server. Please investigate the failure and submit a PR to fix build. Maintainer: y…@freebsd.org Log URL: pkg-status.freebsd.org/foul2/data/main-powerpc64le-default/pbc0e38d0f08e_s0afcac3e37/logs/pytorch-1.13.1_1.log Build URL: pkg-status.freebsd.org/foul2/build.html?mastername=main-powerpc64le-default&build=pbc0e38d0f08e_s0afcac3e37 Log: =>> Building misc/pytorch build started at Tue Oct 24…

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C++20 support in the codebase – Developers discussions

vedran October 24, 2023, 9:57am 1 Hello, Our code base currently compiles as C++17 as we have decided not to bump the standard and subsequently the required compiler versions for 2024 release. By setting CMAKE_CXX_STANDARD to 20 in CMakeLists.txt, one can easily see that GROMACS can not at the moment…

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Portability – GROMACS 2023.1 documentation

Intel classic compiler (icc/icpc) no longer supported# We now support the Intel clang-based compiler from oneAPI (icx/icpx) instead. Please use it, or gcc. Issue 3893 Provisional: Initialize GMX_INSTALL_NBLIB_API and GMXAPI build options from BUILD_SHARED_LIBS# CMake options GMXAPI and GMX_INSTALL_NBLIB_API produce shared object libraries, so their default values are now initialized…

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Install python lammps in a non-standard directory – LAMMPS Installation

izosgi October 23, 2023, 1:20pm 1 Dear all, I am trying to install LAMMPS v2Aug2023.update1 in a cluster.I am using EasyBuild to do this, but it does not succeed to install the python lammps/ directoy into non standard: $LAMMPS_DIR/lib64/python/python3.10/site-package I use cmake and enable python, but the system does not…

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gromacs 2023.3 – Download, Browsing & More

gromacs 2023.3 – Download, Browsing & More | Fossies Archive “Fossies” – the Fresh Open Source Software Archive Contents of gromacs-2023.3.tar.gz (19 Oct 10:41, 42071770 Bytes) About: GROMACS performs molecular dynamics, i.e. simulates the Newtonian equations of motion for systems with hundreds to millions of particles (designed for biochemical molecules…

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Changed from an Icarus to a Icarus_SoM gaves error compiling – Nordic Q&A – Nordic DevZone

Hi, I’m trying to use the code of a board from Actinius in another board from Actinius but a SoM. When compiling I’ve got one error that I can’t understand. This is probably because of the configurations. [133/311] Building C object CMakeFiles/app.dir/src/modules/gpios/gpios.c.objFAILED: CMakeFiles/app.dir/src/modules/gpios/gpios.c.obj C:\ncs\toolchains\v2.3.0\opt\zephyr-sdk\arm-zephyr-eabi\bin\arm-zephyr-eabi-gcc.exe -DKERNEL -DLFS_CONFIG=zephyr_lfs_config.h -DMBEDTLS_CONFIG_FILE=\”nrf-config.h\” -DMBEDTLS_USER_CONFIG_FILE=\”nrf-config-user.h\” -DNRF9160_XXAA -DNRF_SKIP_FICR_NS_COPY_TO_RAM…

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Gromacs-2023.2 fails to build properly but 2023.1 and 2023 builds do – User discussions

GROMACS version: 2023 & 2023.1 & 2023.2GROMACS modification: NoSystem: Apple m2 mac Hello, I was trying to install Gromacs using the most recent 2023.2 build with GPU (OpenCL) support, and after a lot of testing I was unable to succeed. I tried different compilers, different cmake options, and every option…

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main-armv7-default][biology/viennarna] Failed for viennarna-2.6.3 in build

You are receiving this mail as a port that you maintain is failing to build on the FreeBSD package build server. Please investigate the failure and submit a PR to fix build. Maintainer: y…@freebsd.org Log URL: pkg-status.freebsd.org/ampere2/data/main-armv7-default/p08943441f26e_s6e92fc9309/logs/viennarna-2.6.3.log Build URL: pkg-status.freebsd.org/ampere2/build.html?mastername=main-armv7-default&build=p08943441f26e_s6e92fc9309 Log: =>> Building biology/viennarna build started at Mon Oct 16…

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Semantic segmentation reference training scripts

{“payload”:{“allShortcutsEnabled”:false,”path”:”references/segmentation”,”repo”:{“id”:73328905,”defaultBranch”:”main”,”name”:”vision”,”ownerLogin”:”pytorch”,”currentUserCanPush”:false,”isFork”:false,”isEmpty”:false,”createdAt”:”2016-11-09T23:11:43.000Z”,”ownerAvatar”:”avatars.githubusercontent.com/u/21003710?v=4&#8243;,”public”:true,”private”:false,”isOrgOwned”:true},”currentUser”:null,”refInfo”:{“name”:”main”,”listCacheKey”:”v0:1697152646.0″,”canEdit”:false,”refType”:”branch”,”currentOid”:”1d6f78755bafa412ab19d0fa12654444b02d362b”},”tree”:{“items”:[{“name”:”README.md”,”path”:”references/segmentation/README.md”,”contentType”:”file”},{“name”:”coco_utils.py”,”path”:”references/segmentation/coco_utils.py”,”contentType”:”file”},{“name”:”presets.py”,”path”:”references/segmentation/presets.py”,”contentType”:”file”},{“name”:”train.py”,”path”:”references/segmentation/train.py”,”contentType”:”file”},{“name”:”transforms.py”,”path”:”references/segmentation/transforms.py”,”contentType”:”file”},{“name”:”utils.py”,”path”:”references/segmentation/utils.py”,”contentType”:”file”},{“name”:”v2_extras.py”,”path”:”references/segmentation/v2_extras.py”,”contentType”:”file”}],”templateDirectorySuggestionUrl”:null,”readme”:{“displayName”:”README.md”,”richText”:” \n This folder contains reference training scripts for semantic segmentation.\nThey serve as a log of how to train specific models and provide baseline\ntraining and evaluation scripts to quickly bootstrap research. \n All models have been trained on 8x V100 GPUs. \n You must modify the following flags: \n –data-path=/path/to/dataset…

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hiawatha 11.5 – Download, Browsing & More

hiawatha 11.5 – Download, Browsing & More | Fossies Archive “Fossies” – the Fresh Open Source Software Archive Contents of hiawatha-11.5.tar.gz (13 Oct 15:08, 1852032 Bytes) About: Hiawatha is a webserver with a focus on security (optimized for usage with PHP). Fossies downloads: / linux / www / hiawatha-11.5.tar.gz  (tar.bz2|tar.xz|zip) Fossies services:…

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[meta-networking][PATCH v3] mbedtls: upgrade 3.4.1 -> 3.5.0

[meta-networking][PATCH v3] mbedtls: upgrade 3.4.1 -> 3.5.0 * [meta-networking][PATCH v3] mbedtls: upgrade 3.4.1 -> 3.5.0 @ 2023-10-13 14:07 Beniamin Sandu 2023-10-13 15:11 ` [oe] ” Mikko Rapeli 2023-10-13 17:18 ` Khem Raj 0 siblings, 2 replies; 4+ messages in thread From: Beniamin Sandu @ 2023-10-13 14:07 UTC (permalink / raw)…

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Bugs : pytorch-cuda package : Ubuntu

Mantic package 2.0.1+dfsg-4 FTBFS. At a minimum, this diff in debian/control.cuda is needed: diff –git a/debian/control.cuda b/debian/control.cudaindex 0d0b6c61..4a8f9def 100644— a/debian/control.cuda+++ b/debian/control.cuda@@ -27,7 +27,7 @@ Build-Depends: cmake,                libflatbuffers-dev (<< 2.0.9~),                flatbuffers-compiler-dev,                libfxdiv-dev (>= 0.0~git20200417.b408327~),– libgloo-cuda-dev (>= 0.0~git20230117.1090929~) [amd64 arm64 ppc64el],+ libgloo-dev (>= 0.0~git20230117.1090929~) [amd64 arm64 ppc64el],                libideep-dev (>= 0.0~git20230213.7bc3e12~) [amd64 arm64 ppc64el],                liblapack-dev,                libleveldb-dev,@@ -43,7 +43,7 @@…

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pytorch – torch.cuda.is_available() is False, when correct CUDA is installed. What could be wrong?

I’m having some trouble getting pytorch to access the GPU. I know that there is an agreement of the CUDA version (11.8). I leave some additional information below, does anyone know what is going on? In case it is relevant, I am working on an HPC. When connecting to the…

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Libtorch make linker error on M2 Mac – C++

sjoptra (S) October 8, 2023, 5:12am 1 Following the exact steps in Installing C++ Distributions of PyTorch — PyTorch main documentation, I created the following file structure as indicatedexample-app/CMakeLists.txtexample-app.cpp when I runmkdir buildcd buildcmake -DCMAKE_PREFIX_PATH=/absolute/path/to/libtorch …cmake –build . –config Release I get the following linker error [ 50%] Building CXX…

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c++ – LAMMPS build error C1090: PDB API call failed, error code ‘5’

I’m trying to build my LAMMPS library after adding to a simple int return test function to see if I could access the library’s files through C# & Unity. I’m using cmake to compile, with the following command: cmake ../cmake -DBUILD_SHARED_LIBS=yes -DBUILD_MPI=no I then try to build with this command:…

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Reinstalling GROMACS with CUDA GPU – User discussions

GROMACS version: 2023.2GROMACS modification: Yes/NoHere post your question $ nvcc –versionnvcc: NVIDIA (R) Cuda compiler driverCopyright (c) 2005-2021 NVIDIA CorporationBuilt on Thu_Nov_18_09:45:30_PST_2021Cuda compilation tools, release 11.5, V11.5.119Build cuda_11.5.r11.5/compiler.30672275_0 $ nvidia-smiTue Oct 3 13:42:40 2023±————————————————————————————–+| NVIDIA-SMI 535.103 Driver Version: 537.13 CUDA Version: 12.2 ||—————————————–±———————±———————+| GPU Name Persistence-M | Bus-Id Disp.A |…

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Gromacs 2020 installation error – User discussions

Manish September 28, 2023, 2:35pm 1 GROMACS version:GROMACS modification: Yes/NoI am trying to install gromacs 2020 , ubuntu version – Ubuntu 22.04.3 but it is showing error, after this command – sudo cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=OFF -DREGRESSIONTEST_PATH=/home/pharmacy/Desktop/temp/regressiontests-2020 -DCMAKE_INSTALL_PREFIX=/opt/local/gromacs -DGMX_GPU=off -DGMX_USE_TNG=off -DGMX_MPI=OFF -DGMX_INSTALL_LEGACY_API=ON sudo make error attached in picture I am…

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Building LAMMPS with GPU single precision support on v100 nodes – LAMMPS Installation

Hello,I would like to build lammps with libgpu support in single precision on V100 nodes. I am using the following cmake command:cmake -DPKG_GPU=on -DPKG_REAXFF=on -DPKG_MANYBODY=on -DPKG_ML-SNAP=on -DPKG_ASPHERE=on -DPKG_RIGID=on -DPKG_REPLICA=on -DPKG_kspace=on -DPKG_MOLECULE=on -DPKG_EXTRA-MOLECULE=on -DBUILD_MPI=on -DCMAKE_INSTALL_PREFIX=…/install_v100_gpu_single -DMPI_CXX_COMPILER=(which mpicxx) \ -DCMAKE_BUILD_TYPE=Release \ -DCMAKE_CXX_STANDARD=14 \ -DCMAKE_CXX_COMPILER=(which mpicxx) -DGPU_API=cuda -DGPU_PREC=single -DGPU_ARCH=sm_70 …/lammps/cmake and I am…

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CUDA enabled Gromacs Cp2k installation error – User discussions

AKA September 27, 2023, 2:02pm 1 GROMACS version:2023.2GROMACS modification: NoCP2K version: 2023.2Hello all,I was trying to install gromacs with cp2k on nvidia GPU. I installed the psmp version of “local_cuda” cp2k. The cmake command I used is present is: cmake .. -DBUILD_SHARED_LIBS=OFF -DGMXAPI=OFF -DGMX_INSTALL_NBLIB_API=OFF -DGMX_GPU=CUDA -DGMX_CP2K=ON -DCP2K_DIR=/home/aka/Documents/cp2k-2023.2/lib/local_cuda/psmp -DCMAKE_PREFIX_PATH=’/home/aka/Documents/cp2k-2023.2/tools/toolchain/install/openblas-0.3.23;/home/aka/Documents/cp2k-2023.2/tools/toolchain/install/scalapack-2.2.1′ -DGMX_MPI=ON -DCMAKE_INSTALL_PREFIX=/usr/local/gromacs-cp2k-gpu/…

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Detected that PyTorch and torchvision were compiled with different CUDA versions – CUDA Setup and Installation

AK51 September 25, 2023, 6:56pm 1 Hi, There are many version issue in cuda and pytorch. RuntimeError: Detected that PyTorch and torchvision were compiled with different CUDA versions. PyTorch has CUDA Version=11.7 and torchvision has CUDA Version=11.8. Please reinstall the torchvision that matches your PyTorch install. How can I find…

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132releng-armv7-quarterly][misc/pytorch] Failed for pytorch-1.13.1_1 in configure

You are receiving this mail as a port that you maintain is failing to build on the FreeBSD package build server. Please investigate the failure and submit a PR to fix build. Maintainer: y…@freebsd.org Log URL: pkg-status.freebsd.org/ampere1/data/132releng-armv7-quarterly/2be22e0743b5/logs/pytorch-1.13.1_1.log Build URL: pkg-status.freebsd.org/ampere1/build.html?mastername=132releng-armv7-quarterly&build=2be22e0743b5 Log: =>> Building misc/pytorch build started at Mon Sep 25…

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Can’t install CUDA tools 4090 laptop – CUDA Setup and Installation

I can’t use my 4090 laptop for pytorch. I followed the instructions for installing CUDA and even contacted Nvidia customer support but when I run: import torchprint(torch.cuda.is_available()) I get a false statement, showing that torch can’t find my gpu with cuda. Here is what the installer looked like: For reference,…

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main-arm64-default][biology/viennarna] Failed for viennarna-2.6.3 in build

You are receiving this mail as a port that you maintain is failing to build on the FreeBSD package build server. Please investigate the failure and submit a PR to fix build. Maintainer: y…@freebsd.org Log URL: pkg-status.freebsd.org/ampere2/data/main-arm64-default/p85ccf094713a_sc584bb9cac1/logs/viennarna-2.6.3.log Build URL: pkg-status.freebsd.org/ampere2/build.html?mastername=main-arm64-default&build=p85ccf094713a_sc584bb9cac1 Log: =>> Building biology/viennarna build started at Sat Sep 23…

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Ninja: build stopped: subcommand failed. note: see declaration of ‘PyDict_GetItem’

Hello community! This is my first post so I apologize if I am doing something wrong. I am running into an issue when trying to build pytorch-1.12.1 from source. I have search the web for a solution but cannot find one. I am not familiar with C++ so this stuff…

Continue Reading Ninja: build stopped: subcommand failed. note: see declaration of ‘PyDict_GetItem’

pytorch 2.1.0-rc6 – Download, Browsing & More

pytorch 2.1.0-rc6 – Download, Browsing & More | Fossies Archive “Fossies” – the Fresh Open Source Software Archive Contents of pytorch-2.1.0-rc6.tar.gz (22 Sep 00:25, 116312559 Bytes) About: PyTorch provides Tensor computation (like NumPy) with strong GPU acceleration and Deep Neural Networks (in Python) built on a tape-based autograd system. Release…

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Error build 2023.2, 2023.1 and 2022.6 with gcc/11.4.0 and cuda/11.8.0 – User discussions

GROMACS version: 2023.2, 2023.1 and 2022.6GROMACS modification: NoHere post your question Using: cmake -DCMAKE_INSTALL_PREFIX=/apps/u/opt/gcc/11.4.0/gromacs/2023.2/ -DGMX_MPI=ON -DGMX_GPU=CUDA -DGMX_BUILD_OWN_FFTW=ON -DGMX_BUILD_UNITTESTS=ON -DCMAKE_C_COMPILER=/apps/u/spack/gcc/8.5.0/gcc/11.4.0-dll2s4f/bin/gcc -DCMAKE_CXX_COMPILER=/apps/u/spack/gcc/8.5.0/gcc/11.4.0-dll2s4f/bin/g++ I’m getting the following during the make install: [ 79%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/applied_forces/qmmm/qmmminputgenerator.cpp.o [ 79%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/applied_forces/qmmm/qmmmtopologypreprocessor.cpp.o /apps/u/opt/gcc/11.4.0/gromacs/2023.2/src/gromacs/applied_forces/qmmm/qmmmtopologypreprocessor.cpp: In member function ‘void gmx::QMMMTopologyPreprocessor::buildQMMMAtomNumbers(gmx_mtop_t*)’: /apps/u/opt/gcc/11.4.0/gromacs/2023.2/src/gromacs/applied_forces/qmmm/qmmmtopologypreprocessor.cpp:277:17: error: base operand…

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Gromacs +cp2k installation – User discussions

GROMACS version: 2023.1 Hello. I am trying to compile gromacs-2023.1 with cp2k-2023.2, but I am not being able to link the fftwf3 library. So when I run the following command: cmake … -DBUILD_SHARED_LIBS=OFF -DGMXAPI=OFF -DGMX_INSTALL_NBLIB_API=OFF -DGMX_DOUBLE=ON -DGMX_FFT_LIBRARY=fftw3 -DFFTWF_LIBRARY=/home/edivaldo/cp2k/tools/toolchain/install/fftw-3.3.10/lib -DFFTWF_INCLUDE_DIR=/home/edivaldo/cp2k/tools/toolchain/install/fftw-3.3.10/include -DGMX_BLAS_USER=/home/edivaldo/cp2k/tools/toolchain/install/openblas-0.3.23/lib/libopenblas.a -DGMX_LAPACK_USER=/home/edivaldo/cp2k/tools/toolchain/install/scalapack-2.2.1/lib/libscalapack.a -DGMX_CP2K=ON -DCP2K_DIR=“/home/edivaldo/cp2k/lib/local/psmp” -DGMX_MPI=on I keep getting this warning:– The…

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gromacs23.2+Cp2k23.2 installation error – User discussions

AKA September 19, 2023, 8:04am 1 GROMACS version: 2023.2GROMACS modification: NoHello. I am trying to compile gromacs 2023.2 with cp2k 2023.2 support. I am facing the following error while running make: lto1: fatal error: multiple prevailing defs for ‘__def_init_helium_types_Density_properties_type’ compilation terminated. lto-wrapper: fatal error: /home/aka/Documents/cp2k-2023.2/tools/toolchain/install/gcc-13.1.0/bin/g++ returned 1 exit status compilation…

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How to create virtual environment with OpenCv and Pytorch to execute your program on GPU – Jetson Nano

A98 September 16, 2023, 12:33pm 1 This is my solution of this question. My sequence of actions: 1.Anaconda installation: Clicked on: Archiconda3-0.2.3-Linux-aarch64.sh It downloaded to /Download folder In terminal: gerardg@Nvidia:~$ cd Downloads gerardg@Nvidia:~/Downloads$ bash Archiconda3-0.2.3-Linux-aarch64.sh @yannickdeicaza I see a bash shell at Archiconda With just conda-forge I have HDF5 tools…

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GROMACS SYCL for Intel GPU – User discussions

GROMACS version: 2023.2GROMACS modification: Yes/NoHi,I’ve just install GROMACS with SYCL enabled, however, it seems like GROMACS cannot detect my GPU. My GPU is Intel Iris Xe Graphics, I’m using Ubuntu 22.04, CMake 3.27.4, and Intel oneAPI DPC++/C++ Compiler with MKL library 2023.2 for SYCL. Here it says SYCL is enabled:…

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What are the “correct” CMake settings to compile the PyTorch? – C++

pholonow (Piotr Hołonowicz) September 15, 2023, 1:32pm 1 Hi Everyone!I would like to compile a custom version of the PyTorch. Could someone kindly tell me, what are the “safe” CMake settings that guarantee a successful compilation? In particular, we would like to use CUDA 12.1.Thanks!Piotr ptrblck September 15, 2023, 2:40pm…

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Server Crashing: Epyc 7402P with Nvidia Tesla A100s Ubuntu 20.04 – Hardware

Swamp7 September 13, 2023, 3:35pm #1 Seeing if someone could give me some guidance on troubleshooting a new AL/DL Epyc 7402P server with Dual Nvidia Tesla A100 40GB GPUs. This is my first Epyc server (moving from Xeon E5-2680 v3s…I know very old but they work for GPU servers very…

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gromacs: Source code changes report for 2022.4 vs. 2022.5

gromacs: Source code changes report for 2022.4 vs. 2022.5 | Fossies Diffs   “Fossies” – the Fresh Open Source Software Archive   Source code changes report for “gromacs” between the packagesgromacs-2022.4.tar.gz and gromacs-2022.5.tar.gz About: GROMACS performs molecular dynamics, i.e. simulates the Newtonian equations of motion for systems with hundreds to millions of…

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MPI Installation FindCUDA CMake warning – User discussions

ksr September 8, 2023, 2:36pm 1 GROMACS version:2023.2GROMACS modification: NoHere post your questionI installed GROMACS MPI on a Dell workstation with a Intel® Xeon(R) Silver 4110 CPU @ 2.10GHz × 32 processor and AMD® Radeon pro wx2100 GPU on an Ubuntu 20.04.6 LTS OS using cmake options:-DMGX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DMAKE_C_COMPILER=gcc -DCMAKE_CXX_COMPILER=g++…

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how to integrate libssh with windows QT Creator 11.0.2

I need to make an application that runs in Raspberrypi where I can transfer files using ssh from the host Windows machine to the remote pi. and also execute a few read-a-file commands there.Hence I have to use these lines“#include <libssh/libssh.h>” i did installed the libssh using vcpkg. please find…

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Building Pytorch – Missing Symbols – deployment

Cyberes September 7, 2023, 6:09am 1 I’m working on compiling PyTorch in my Dockerfile and running into a strange issue where the compiled libtorch.so only contains 4 symbols: ~ $ nm -D /opt/conda/lib/python3.9/site-packages/torch/lib/libtorch.so w _ITM_deregisterTMCloneTable w _ITM_registerTMCloneTable w __cxa_finalize w __gmon_start__ Compare that to the libtorch.so from pip: U __cxa_allocate_exception…

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AI Software Solutions Engineer at Intel

Job Description Intel Datacenter and AI Group focuses on developing disruptive solutions that will shape the future of AI and Deep Learning computing. Led by top technologists and successful entrepreneurs, our vision is to take AI processing from its current limits to the peak of its potential. We see challenges…

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Unable to build with cuFFTMp – User discussions

RomanS August 30, 2023, 1:38pm 1 GROMACS version: 2023GROMACS modification: No I am following the instructions here for building GROMACS with support for decomposing PME work across multiple GPUs, but the resulting version is unable to do so. As instructed, I’m including the following CMake options (obviously including the actual…

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pytorch 2.1.0-rc1 – Download, Browsing & More

pytorch 2.1.0-rc1 – Download, Browsing & More | Fossies Archive “Fossies” – the Fresh Open Source Software Archive Contents of pytorch-2.1.0-rc1.tar.gz (28 Aug 18:41, 116244791 Bytes) About: PyTorch provides Tensor computation (like NumPy) with strong GPU acceleration and Deep Neural Networks (in Python) built on a tape-based autograd system. Release…

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Need help building Pytorch for old GPU

Hello everyone,I tried to build Pytorch from source on Linux for NVIDIA Quadro K600. After building it, CUDA is not available. Here is what I did: git clone –recursive github.com/pytorch/pytorch cd pytorch git submodule sync git submodule update –init –recursive conda install cmake ninja pip install -r requirements.txt conda install…

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gladiaio-torchaudio 2.1.0a0 on PyPI – Libraries.io

The aim of torchaudio is to apply PyTorch to the audio domain. By supporting PyTorch, torchaudio follows the same philosophy of providing strong GPU acceleration, having a focus on trainable features through the autograd system, and having consistent style (tensor names and dimension names). Therefore, it is primarily a machine…

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main-armv7-default][misc/pytorch] Failed for pytorch-1.13.1_1 in configure

You are receiving this mail as a port that you maintain is failing to build on the FreeBSD package build server. Please investigate the failure and submit a PR to fix build. Maintainer: y…@freebsd.org Log URL: pkg-status.freebsd.org/ampere2/data/main-armv7-default/pd101ab5189f9_sb231322dbe/logs/pytorch-1.13.1_1.log Build URL: pkg-status.freebsd.org/ampere2/build.html?mastername=main-armv7-default&build=pd101ab5189f9_sb231322dbe Log: =>> Building misc/pytorch build started at Mon Aug 21…

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August Week 2

Our weekly digest lists the week’s news, new titles added to our Book Watch Archive and our weekly book review. This week’s first featured article intropduces the axiom of choice, the most esoteric math concept you are likely to encounter, while the second is from our History section and marks the…

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GROMACS Installation in Centralised Supercomputing Facility – User discussions

GROMACS version: 2021.4GROMACS modification: Yes/NoCan anyone guide me a systematic installation of GROMACS 2021.4 in Central Supercomputing Facility ?I want to install GROMACS into the centralised supercomputer, where I wouldn’t have any “administrative” rights. I tried to install GROMACS 2021.4 version into my user of CDAC Param – Siddhi Supercomputing…

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Fails to build binary packages again after successful build

Source: lammps Version: 20220106.git7586adbb6a+ds1-2 Severity: minor Tags: trixie sid ftbfs User: lu…@debian.org Usertags: ftbfs-binary-20230816 ftbfs-binary-after-build User: debi…@lists.debian.org Usertags: qa-doublebuild Hi, This package fails to do build a binary-only build (not source) after a successful build (dpkg-buildpackage ; dpkg-buildpackage -b). This is probably a clear violation of Debian Policy section 4.9 (clean…

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Rstudio can’t find CMAKE even though it is in /usr/local/bin – Package Management

I have been attempting to install a package that requires cmake. However, Rstudio can’t seem to find it for some reason: R version 4.3.1 (2023-06-16) — “Beagle Scouts” Copyright (C) 2023 The R Foundation for Statistical Computing Platform: x86_64-apple-darwin22.4.0 (64-bit) R is free software and comes with ABSOLUTELY NO WARRANTY….

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Unable to patch PLUMED with INTEL package – LAMMPS Installation

mence August 8, 2023, 7:23pm 1 Hello, I am trying to patch LAMMPS 29Sep2021 with PLUMED. As it stands, I have managed to get PLUMED working with LAMMPS but I am trying to squeeze some extra performance by using Intel acceleration. To get plumed running on the HPC cluster, I…

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PSA Cryptoprocessor driver development examples

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implemented”,”anchor”:”process-for-entry-points-where-auto-generation-is-implemented”,”htmlText”:”Process for Entry Points…

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C++ Developer job in Ashampstead, Berkshire

Developer – C++ – Python – Pytorch – AI – Machine Learning – up to £400 a day on PAYE contract Reading based – Hybrid working – Up to £400 a day PAYE Contract – salary equivalent of circa £80kMy global brand is urgently recruiting for a Senior C++ Developer…

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Unable to access CUDA using torch on aarch64 architecture – C++

dagrawal (Divyansh Agrawal) August 4, 2023, 6:07pm 1 I have a custom yocto build with aarch64 architecture running Linux. I have installed pytorch using Python. When I check torch.cuda.is_available(), it always returns false even though I have a CUDA capable GPU (nvidia A6000).Also, I am unable to install libtorch on…

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Error (UUID) when compiling fitSNAP+LAMMPS – LAMMPS Installation

bqluan August 3, 2023, 4:49pm 1 Dear all,I hope to use the SNAP ML-potential in lammps. I followed the instructions here (2. Installation — FitSNAP documentation) for installation. However, I keep getting the error message near the end of compiling lammps:[100%] Built target lammps[100%] Building CXX object CMakeFiles/lmp.dir/u/bqluan/lammps/src/main.cpp.o[100%] Linking CXX…

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main-amd64-default][misc/py-pytorch] Failed for py39-pytorch-2.0.0_2 in configure

You are receiving this mail as a port that you maintain is failing to build on the FreeBSD package build server. Please investigate the failure and submit a PR to fix build. Maintainer: y…@freebsd.org Log URL: pkg-status.freebsd.org/beefy18/data/main-amd64-default/p04fdfe963096_sc620788150/logs/py39-pytorch-2.0.0_2.log Build URL: pkg-status.freebsd.org/beefy18/build.html?mastername=main-amd64-default&build=p04fdfe963096_sc620788150 Log: =>> Building misc/py-pytorch build started at Sat Jul 29…

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cp2k 2023.2 – Download, Browsing & More

cp2k 2023.2 – Download, Browsing & More | Fossies Archive “Fossies” – the Fresh Open Source Software Archive Contents of cp2k-2023.2.tar.bz2 (27 Jul 10:02, 68243435 Bytes) About: CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material,…

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124amd64-quarterly][misc/pytorch] Failed for pytorch-1.13.1_1 in build

You are receiving this mail as a port that you maintain is failing to build on the FreeBSD package build server. Please investigate the failure and submit a PR to fix build. Maintainer: y…@freebsd.org Log URL: pkg-status.freebsd.org/beefy2/data/124amd64-quarterly/1c331580481c/logs/pytorch-1.13.1_1.log Build URL: pkg-status.freebsd.org/beefy2/build.html?mastername=124amd64-quarterly&build=1c331580481c Log: =>> Building misc/pytorch build started at Thu Jul 27…

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Gromacs installation with cp2k – User discussions

vikas July 25, 2023, 12:40pm 1 GROMACS version: 2021.4GROMACS modification: NoBelow is the cmake command I am using:cmake … -DBUILD_SHARED_LIBS=OFF -DGMXAPI=OFF -DGMX_INSTALL_NBLIB_API=OFF -DGMX_DOUBLE=ON -DGMX_FFT_LIBRARY=fftw3 -DFFTWF_LIBRARY=$cp2k_install/fftw-3.3.10/lib/ -DFFTWF_INCLUDE_DIR=$cp2k_install/fftw-3.3.10/include -DGMX_BLAS_USER=$cp2k_install/openblas-0.3.20/lib/ -DGMX_LAPACK_USER=$cp2k_install/scalapack-2.1.0/lib/ -DGMX_CP2K=ON -DCP2K_DIR=$cp2k_home/lib/local/psmp/ -DGMX_DEFAULT_SUFFIX=OFF -DGMX_BINARY_SUFFIX=_cp2k -DGMX_LIBS_SUFFIX=_cp2k -DCMAKE_INSTALL_PREFIX=/home/chemistry/phd/cyz208667/Softwares/new_cp2k/gmx_install -DCP2K_LINKER_FLAGS=“-Wl,–enable-new-dtags -L/home/soft/centOS/compilers/gcc/openmpi/4.1.4/lib -Wl,-rpath -Wl,/home/soft/centOS/compilers/gcc/openmpi/4.1.4/lib -Wl,–enable-new-dtags -L’/home/chemistry/phd/cyz208667/Softwares/new_cp2k/cp2k-2022.1/tools/toolchain/install/openblas-0.3.20/lib’ -Wl,-rpath=‘/home/chemistry/phd/cyz208667/Softwares/new_cp2k/cp2k-2022.1/tools/toolchain/install/openblas-0.3.20/lib’ -L’/home/chemistry/phd/cyz208667/Softwares/new_cp2k/cp2k-2022.1/tools/toolchain/install/fftw-3.3.10/lib’ -Wl,-rpath=‘/home/chemistry/phd/cyz208667/Softwares/new_cp2k/cp2k-2022.1/tools/toolchain/install/fftw-3.3.10/lib’ -L’/home/chemistry/phd/cyz208667/Softwares/new_cp2k/cp2k-2022.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/lib’ -L’/home/chemistry/phd/cyz208667/Softwares/new_cp2k/cp2k-2022.1/tools/toolchain/install/libxc-5.2.3/lib’ -Wl,-rpath=‘/home/chemistry/phd/cyz208667/Softwares/new_cp2k/cp2k-2022.1/tools/toolchain/install/libxc-5.2.3/lib’ -L’/home/chemistry/phd/cyz208667/Softwares/new_cp2k/cp2k-2022.1/tools/toolchain/install/libxsmm-1.17/lib’ -Wl,-rpath=‘/home/chemistry/phd/cyz208667/Softwares/new_cp2k/cp2k-2022.1/tools/toolchain/install/libxsmm-1.17/lib’ -L’/home/chemistry/phd/cyz208667/Softwares/new_cp2k/cp2k-2022.1/tools/toolchain/install/scalapack-2.1.0/lib’ LIBS=…

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Gmx mdrun (with OpenCL) no GPU detected – User discussions

GROMACS version:2023.2GROMACS modification: Yes/NoHere post your question Executable: /usr/local/gromacs-2023.2/bin/gmxData prefix: /usr/local/gromacs-2023.2Working dir: /home/1/tutegmxCommand line:gmx –version GROMACS version: 2023.2Precision: mixedMemory model: 64 bitMPI library: thread_mpiOpenMP support: enabled (GMX_OPENMP_MAX_THREADS = 128)GPU support: OpenCLNB cluster size: 8SIMD instructions: AVX2_256CPU FFT library: Intel MKL version 2023.0.1 Build 20230303GPU FFT library: clFFTMulti-GPU FFT: noneRDTSCP usage:…

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Installation error of GMX+CP2K on WSL – User discussions

GROMACS version: 2023GROMACS modification: Yes/No Dear Gromacs community: I tried to install GROMACS 2023 in combination with CP2K.2023.1 on WSL.I successfully install cp2k.2023.1 and tried to install gromacs, then I got this error at the end: [100%] Building CXX object src/programs/CMakeFiles/gmx_objlib.dir/gmx.cpp.o [100%] Building CXX object src/programs/CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o [100%] Built target gmx_objlib…

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LAMMPS inistallation on RTX 3090 – LAMMPS Installation

Hi. I want to install LAMMPS on GPU. My GPU is RTX 3090. LAMMPS version is 2020. i use cmake. when I execute “make -j20”, the following error occurs:nvcc fatal : Unsupported gpu architecture ‘compute_30’nvcc fatal : Unsupported gpu architecture ‘compute_30’CMake Error at cuda_compile_fatbin_1_generated_lal_pppm_f.cu.fatbin.RelWithDebInfo.cmake:214 (message):Error generating/opt/lammps3marc20gpu/lammps-3Mar20/build/cuda_compile_fatbin_1_generated_lal_pppm_f.cu.fatbin nvcc fatal : Unsupported…

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Gromacs OpenCL incompatible GPUs – User discussions

GROMACS version: 2022GROMACS modification: No I am attempting to run Gromacs with OpenCL, but it seems that GPUs are considered as incompatible. My hardware is: AMD EPYC 7643 48-Core + 8 NVIDIA RTX A6000 GPUs. I have built Gromacs with: cmake … -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_BUILD_OWN_FFTW=ON -DGMX_GPU=OpenCL clinfo: Number of platforms 1Platform…

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