NAMD | NVIDIA NGC

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NAMD

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UIUC

NAMD

NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems.

Layer	Label		Created
14c773ceadee042d1694995bb79f4c28aea5e3e2338f28dd47fe0017ccb3bdf2	RUN	`/bin/sh`	12/08/2025 11:52 PM UTC
04ced5ae1cff0cf5dd90ef2b8b5163f21caffe93506912922e49a9517c6ec240	COPY	`dir:006953b61b909dac090f5fc5b9327dbfb6a07acb8eb3fec9826a468df88cf9f0 in /usr/local/namd`	12/08/2025 11:52 PM UTC
a09c2d584bea9df1a66cb6c05d4be4375bda1cba7ffc7aeedb563c80910322d6	RUN	`apt-get update -y && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends tcl && rm -rf /var/lib/apt/lists/*`	12/08/2025 11:52 PM UTC
d85841e3fd0893325286aa4d11c185ec9a6d12ca70d87ff0181ddf9497429d72	ENTRYPOINT	`["/usr/bin/nventry" "-try_lazy_loading"]`	12/08/2025 11:52 PM UTC
133e07b5140349f6a81f7f856875d532ac691918ae780d3e6e9225fde4289926	COPY	`file:228bcd2fab359acddc8f16d0370da826d9c9400a0a6b45267b8e8f75c8af2ae8 in /usr/bin/nventry`	12/08/2025 11:52 PM UTC
fe1c3330f9731768425460898a8374e89f5ba7e96c0aa82d4c3c945ac3ce2226	RUN	`ldconfig`	12/08/2025 11:52 PM UTC
31d07af88d5e8e0ac1218bb7e03b563d36fc5228641b7b7c34a38e061a1b2b55	RUN	`mkdir /host_pwd`	12/08/2025 11:52 PM UTC
478a7f792d699c5e1ac1f14f488fca396c9b4a540380504e0f5bc3daa5c76006	COPY	`multi:30ddfb716c53148528bc109fb0a28b6abc653a3d58dfd61652d359d136c44e77 in /usr/src/`	12/08/2025 11:52 PM UTC
fb2c891b529fb0a17bf2b050c1e9adb89713c59d52c956ab471486d377c63dc4	ENV	`UCX_MEMTYPE_CACHE=n`	12/08/2025 11:52 PM UTC
30b72bad10b79baeeb0f0b8436d9c592818c3cc36bacd4059ee58ac30ee4a0e8	ENV	`OMPI_ALLOW_RUN_AS_ROOT=1 OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1 OMPI_MCA_rmaps_base_oversubscribe=1 PATH=/usr/local/openmpi/bin:/usr/local/ucx/bin:/usr/local/nvidia/bin:/usr/local/cuda/bin:/usr/local/charm-8.0.0/bin:/usr/local/pmix/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin`	12/08/2025 11:52 PM UTC