XSEDE/nix-container-namd2.14-cuda10.2:latest

$ singularity pull shub://XSEDE/nix-container-namd2.14-cuda10.2:latest

Singularity Recipe

Bootstrap: docker
From: xsede/nix-namd2-14-cuda10.2:latest
# The above container does not yet exist in a public repo - for now
#  replace this with a reference to the one built locally from the included
#  Dockerfile.

%runscript
#Simply pass any commandline arguments to namd2
/usr/bin/namd2 $@

%help
 This contains NAMD 2.14 built with CUDA 10.2.89 support.

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key value
id /containers/XSEDE-nix-container-namd2.14-cuda10.2-latest
collection name XSEDE/nix-container-namd2.14-cuda10.2
branch main
tag latest
commit 45b9a0fc983ea226e0ec87a667a2ef0e6c16be7f
version (container hash) d924d1a8146518e2b7e0d22c6f72af187935cdbe914324d5ec9f57710a4d5f70
build date 2021-04-14T19:51:48.662Z
size (MB) 2650.50390625
size (bytes) 2779254784
SIF Download URL (please use pull with shub://)
Datalad URL View on Datalad
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