From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Mon Feb 06 2017 - 09:47:28 CST
You have to download (or build) a GPU accelerated version of NAMD. E.g.:
<http://www.ks.uiuc.edu/Development/Download/download.cgi?UserID=&AccessCode=&ArchiveID=1499> 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
Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] 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.
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