PATH=/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/local/cuda-13.0/bin LD_LIBRARY_PATH=/usr/local/fftw/lib:/usr/local/fftw/lib::/usr/local/cuda-13.0/lib64 CUDA_VERSION=13.0.2 CUDA_HOME=/usr/local/cuda NVIDIA_VISIBLE_DEVICES=all NVIDIA_DRIVER_CAPABILITIES=compute,utility

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

/nventry /usr/bin/nventry

rsync -av --mkpath --include '*' /var/tmp/sailor-solve/specgromacs/destdir/ /

LD_LIBRARY_PATH=/usr/local/fftw/lib:/usr/local/fftw/lib: LANG=en_US.UTF-8 LC_CTYPE=C

apt-get update &&
  DEBIAN_FRONTEND=noninternactive apt-get install -y --no-install-recommends cuda-compat-13-0=580.95.05-0ubuntu1 cuda-cudart-13-0=13.0.96-1 cuda-profiler-api-13-0=13.0.85-1 cuda-toolkit-13-0-config-common=13.0.96-1 cuda-toolkit-13-config-common=13.3.29-1 cuda-toolkit-config-common=13.3.29-1 libcufft-13-0=12.0.0.61-1 &&
  rm -rf /var/lib/apt/lists/*

apt-get update &&
  DEBIAN_FRONTEND=noninternactive apt-get install -y --no-install-recommends /var/tmp/sailor-solve/debs/cuda-keyring_1.1-1_all.deb &&
  rm -rf /var/lib/apt/lists/*

mkdir -p /var/tmp/sailor-solve/debs &&
  cd /var/tmp/sailor-solve/debs &&
  curl -f -L -O https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/sbsa/cuda-keyring_1.1-1_all.deb

rsync -av --mkpath --include '*' /var/tmp/sailor-solve/specfftw3/destdir/ /

LD_LIBRARY_PATH=/usr/local/fftw/lib: