AW: question about GPU

From: Norman Geist (
Date: Mon Feb 06 2017 - 09:47:28 CST

You have to download (or build) a GPU accelerated version of NAMD. E.g.:


 <> Linux-x86_64-multicore-CUDA (NVIDIA CUDA acceleration)


The binary mentioned above is NAMD-2.12 single node. A GPU version of NAMD can’t run without a GPU. Feel free to answer for further details


Norman Geist


Von: [] Im Auftrag von parinaz bashirbanaem
Gesendet: Montag, 6. Februar 2017 16:01
Betreff: namd-l: question about GPU




I want to use the GPU accelerated version of NAMD 2.10, Which is the correct command to run the NAMD?


 We are currently using this command :


./namd2 +idlepoll +p10 A.conf > A.log


But there isn't any different than using CPU, and does not accelerate by GPU. please help me in this way.


With Respect.


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