From: Haohao Fu (fhh2626_at_gmail.com)
Date: Wed Sep 20 2017 - 02:22:17 CDT
Suppose you already have fftw and tcl folder in the NAMD directory
Then you can do:
(build charm)
tar xvf charm-xxxxx.tar
cd charm-xxxxx
./build
(build NAMD with CUDA)
cd ..
./config Linux-x86_64-g++ --with-cuda --cuda-prefix /xxxxxxxxxxxxxx
cd Linux-x86_64-g++
revise "CHARM = xxxxxxxxxxx" in Make.config to a absolute pathway
make -j
Haohao
2017-09-20 14:54 GMT+08:00 Daipayan Sarkar <sdaipayan_at_gmail.com>:
> Hi,
>
> Can someone share the steps to build a NAMD executable with CUDA enabled
> for a multicore Unix workstation? The CUDA toolkit, I am using is
> 'cuda-repo-rhel7-8-0-local-ga2-8.0.61-1.x86_64.rpm' for centos 7 and
> x86_64.
>
> Thanks,
> Daipayan
>
>
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