Category: Science Apps-Molecular Dynamics
For more information visit NAMD website
NAMD is available as a module.
module load namdWill add namd2 (executable) to your PATH.
Please set the following environment variables in you job submission script: "setenv MPICH_PTL_SEND_CREDITS -1" "setenv MPICH_MAX_SHORT_MSG_SIZE 8000" "setenv MPICH_PTL_UNEX_EVENTS 80000" "setenv MPICH_UNEX_BUFFER_SIZE 100M"
which namd2
This package has the following support level : Supported
Version | Available Builds | |||||||
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pgi | pathscale | gnu | Other | |||||
v2.6 |
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