["/usr/bin/nventry" "-build_base_dir=/usr/local/gromacs" "-build_default=avx2_256"]

file:e5cbafbc0bdf1cb51dc0e6c5db47b3bf5e73d55c442bbee3d30da30028b61f3a in /usr/bin/nventry

ldconfig

mkdir /host_pwd

multi:83f0c6ea758b1933b0badf80f76bf44d6c7a4b4f2d6873337cbcf3b0ae3a4ba9 in /usr/src/

ldconfig

LD_LIBRARY_PATH=/usr/local/cuda/lib:/usr/local/cuda/lib64:/usr/local/fftw/lib: NVIDIA_DRIVER_CAPABILITIES=compute,utility NVIDIA_REQUIRE_CUDA=cuda>=11.2 brand=tesla,driver>=455,driver<456 brand=tesla,driver>=450,driver<451 brand=tesla,driver>=440,driver<441 brand=tesla,driver>=418,driver<419 NVIDIA_VISIBLE_DEVICES=all PATH=/usr/local/nvidia/bin:/usr/local/cuda/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin

export DEBIAN_FRONTEND=noninteractive &&
  apt-get update &&
  apt-get install -y --no-install-recommends gnupg2 wget software-properties-common &&
  wget --quiet http://developer.download.nvidia.com/compute/cuda/repos//ubuntu2004/x86_64//cuda-ubuntu2004.pin &&
  mv cuda-ubuntu2004.pin /etc/apt/preferences.d/cuda-repository-pin-600 &&
  apt-key adv --fetch-keys http://developer.download.nvidia.com/compute/cuda/repos//ubuntu2004/x86_64//7fa2af80.pub &&
  add-apt-repository "deb http://developer.download.nvidia.com/compute/cuda/repos//ubuntu2004/x86_64/ /" &&
  apt-get update &&
  apt-get install -y --no-install-recommends gnupg2 wget software-properties-common &&
  wget --quiet http://developer.download.nvidia.com/compute/cuda/repos//ubuntu2004/x86_64//cuda-ubuntu2004.pin &&
  mv cuda-ubuntu2004.pin /etc/apt/preferences.d/cuda-repository-pin-600 &&
  apt-key adv --fetch-keys http://developer.download.nvidia.com/compute/cuda/repos//ubuntu2004/x86_64//7fa2af80.pub &&
  add-apt-repository "deb http://developer.download.nvidia.com/compute/cuda/repos//ubuntu2004/x86_64/ /" &&
  apt-get update &&
  apt-get install -y --no-install-recommends cuda-cudart-11-2 cuda-compat-11-2 libcufft-11-2 &&
  ln -s cuda-11.2 /usr/local/cuda &&
  apt-get purge -y gnupg2 wget software-properties-common &&
  apt -y autoremove

dir:51fae71bd0b1e3080c372d35ae1b30fc823a9c1ca385c826f00ee5e8341d4ecd in /usr/local/gromacs/avx_512

dir:015b64706bcb98d165823bf3232476612c484da0d5651cfe2e7f4a5aebdb3968 in /usr/local/gromacs/avx_256