NVIDIA
ALCHEMI Batched Geometry Relaxation NIM
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NVIDIA
ALCHEMI Batched Geometry Relaxation NIM

Atomistic Geometry Optimization/Relaxation NIM with machine learning interatomic potentials.

LayerLabelCreated
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4LABEL
model.manifest.yaml=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sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
/opt/nim/entrypoint.sh
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sha256:4f4fb700ef54461cfa02571ae0db9a0dc1e0cdb5577484a6d75e68dc38e8acc1WORKDIR
/home/nvs
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sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4USER
nvs
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sha256:249cf54f92dedc7eb0b119c417b65baaf302fd2525be3c79119a59c27ea144b2RUN
PIP_INDEX_URL=https://urm.nvidia.com/artifactory/api/pypi/nv-shared-pypi/simple sed -i 's/\r$//' $NIM_DIR_PATH/entrypoint.sh &&
  chown 1000:1000 $NIM_DIR_PATH/entrypoint.sh
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sha256:ba69b675c2c8ed853d6e52b43a5269a871ede3322602b0cc778bc49a847df0a5RUN
RUN |1 PIP_INDEX_URL=https://urm.nvidia.com/artifactory/api/pypi/nv-shared-pypi/simple /bin/sh -c touch $NIM_DIR_PATH/entrypoint.sh &&
  chmod +x $NIM_DIR_PATH/entrypoint.sh &&
  cat > $NIM_DIR_PATH/entrypoint.sh <<-'ENTRYPOINT' #!/usr/bin/env bash set -eu export ALCHEMI_NIM_DISABLE_MODEL_DOWNLOAD="${NIM_DISABLE_MODEL_DOWNLOAD:-}" export NIM_DISABLE_MODEL_DOWNLOAD=true exec /bin/bash -c "$SERVER_START_SCRIPT_PATH" ENTRYPOINT # buildkit
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sha256:a2cb619e185c81dfb682ae3c8034bf9cea2260acac3610fb340f46e248641f0dRUN
PIP_INDEX_URL=https://urm.nvidia.com/artifactory/api/pypi/nv-shared-pypi/simple sed -i 's/\r$//' $SERVER_START_SCRIPT_PATH
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sha256:4079a12aa58920d4df9d4fef0eaf26e1c7ca28ec533ed9c49bcf57a4e16d760dRUN
RUN |1 PIP_INDEX_URL=https://urm.nvidia.com/artifactory/api/pypi/nv-shared-pypi/simple /bin/sh -c triton-config-gen --request-model alchemi_nim_tools.data_models.BGRRequest --response-model alchemi_nim_tools.data_models.BGRResponse --model-name BGR --output ${NIM_TRITON_REPO}/BGR/config.pbtxt &&
  touch $SERVER_START_SCRIPT_PATH &&
  chmod a+rx $SERVER_START_SCRIPT_PATH &&
  cat > $SERVER_START_SCRIPT_PATH <<-EOF #!/usr/bin/env bash set -eu # SPDX-FileCopyrightText: Copyright (c) 2024 NVIDIA CORPORATION & AFFILIATES. All rights reserved. # SPDX-License-Identifier: LicenseRef-NvidiaProprietary start_server EOF # buildkit
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sha256:317caf52934abc69065839c2b3f835675b9e0bace89e01f9f6faee5326d89d20RUN
PIP_INDEX_URL=https://urm.nvidia.com/artifactory/api/pypi/nv-shared-pypi/simple groupadd --gid 1000 --non-unique nvs &&
  useradd --create-home --shell /usr/sbin/nologin --uid 1000 --non-unique --gid 1000 nvs &&
  chown -R 1000:1000 $NIM_DIR_PATH $NIM_TRITON_REPO /home/nvs &&
  for c in /root/.cache /home/nvs/.cache; do [ -d "$c" ] ||
  continue; find "$c" -name .git 2>/dev/null -exec rm -rf {} + 2>/dev/null ||
  true; find "$c" -type f \( -name .gitignore -o -name .gitmodules -o -name .gitattributes \) -delete 2>/dev/null ||
  true; done
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sha256:4f4fb700ef54461cfa02571ae0db9a0dc1e0cdb5577484a6d75e68dc38e8acc1RUN
PIP_INDEX_URL=https://urm.nvidia.com/artifactory/api/pypi/nv-shared-pypi/simple ulimit -n 65535
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