From: Renfro, Michael (Renfro_at_tntech.edu)
Date: Sat Mar 03 2018 - 10:03:26 CST
Assuming we’re looking at http://www.ks.uiuc.edu/Research/namd/2.12/notes.html , the section "CUDA GPU Acceleration” includes:
The CUDA (NVIDIA's graphics processor programming platform) code in
NAMD is completely self-contained and does not use any of the CUDA
support features in Charm++. When building NAMD with CUDA support
you should use the same Charm++ you would use for a non-CUDA build.
Do NOT add the cuda option to the Charm++ build command line. The
only changes to the build process needed are to add --with-cuda and
possibly --cuda-prefix ... to the NAMD config command line.
-- Mike Renfro / HPC Systems Administrator, Information Technology Services 931 372-3601 / Tennessee Tech University > On Mar 3, 2018, at 8:22 AM, Mahmood Naderan <mahmood.nt_at_gmail.com> wrote: > > Hi, > I followed the installation guide and successfully installed namd. The document is large so, maybe the question I am asking is explained in the document. > The build procedure has nothing to do with the cuda toolkit. Am I right? I followed these steps: > > Getting the source package > tar zxf NAMD_2.12_Source.tar.gz > cd NAMD_2.12_Source/ > tar xf charm-6.7.1.tar > cd charm-6.7.1 > ./build charm++ multicore-linux64 --with-production > cd multicore-linux64/tests/charm++/megatest > make pgm > ./pgm +p4 > cd ../../../../.. > ./config Linux-x86_64-g++ --charm-arch multicore-linux64 > cd Linux-x86_64-g++ > make -j4 > > > > Regards, > Mahmood > >
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