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AMBER: Difference between revisions
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module load StdEnv/2020 gcc/9.3.0 | module load StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 amber/20.9-20.15 | ||
Executables: pmemd (serial), pmemd.MPI (parallel) | |||
=== GPU version === <!--T:11--> | === GPU version === <!--T:11--> | ||
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module load StdEnv/2020 gcc/9.3.0 cuda/11.0 openmpi/4.0.3 amber/20.9-20.15 | module load StdEnv/2020 gcc/9.3.0 cuda/11.0 openmpi/4.0.3 amber/20.9-20.15 | ||
Executables: pmemd (serial), pmemd.MPI (parallel), pmemd.cuda (Single GPU), pmemd.cuda.MPI(multi-GPU) | |||
==Loading Amber 18== <!--T:18--> | ==Loading Amber 18== <!--T:18--> | ||