NAMD 2.9 CUDA compilation

From: Francesco Pietra (
Date: Mon Mar 11 2013 - 10:40:11 CDT

I am attempting to compile namd 2.9 with cuda on Debian GNU/Linux
amd64. Configured;

./config Linux-x86_64-g++ --with-cuda

The output of "make depends", followed by "make"

ended with error:

g++ -m64 -O3 -I.rootdir/charm-6.4.0/multicore-linux64/include
-DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN
-I.rootdir/tcl-threaded/include -DNAMD_TCL -I.rootdir/fftw/include
-DNAMD_FFTW -DNAMD_CUDA -I. -I/usr/local/encap/cuda-4.0/include
-DNAMD_VERSION=\"2.9\" -DNAMD_PLATFORM=\"Linux-x86_64-multicore-CUDA\"
-fexpensive-optimizations -ffast-math -o obj/ComputeNonbondedCUDA.o
-c src/ComputeNonbondedCUDA.C
src/ComputeNonbondedCUDA.C:6:26: fatal error: cuda_runtime.h: No such
file or directory
compilation terminated.
make: *** [obj/ComputeNonbondedCUDA.o] Error 1

Actually, /src does not include cuda-related files. Was the
configuration command malformed?

Thanks. Please inform me if more information is needed. I tried to be concise.

francesco pietra

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