From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Sat Mar 03 2018 - 10:10:35 CST
Run the NAMD ./config script without argument to see the syntax for CUDA
builds; check notes.txt as well.
On Sat, Mar 3, 2018 at 11:03 AM, Renfro, Michael <Renfro_at_tntech.edu> wrote:
> 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
> >
> >
>
>
>
-- Giacomo Fiorin Associate Professor of Research, Temple University, Philadelphia, PA Contractor, National Institutes of Health, Bethesda, MD http://goo.gl/Q3TBQU https://github.com/giacomofiorin
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