Category: Science Apps-Molecular Dynamics
For more information visit NAMD website
NAMD is available on xt as a module. See the modules page for more information on modules.
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
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pgi | gnu | pathscale | Other | |||||
2.7b1-09Jul21 |
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2.7b1 |
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2.6 |
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