question in NAMD with icc & cuda

From: ukulililixl (
Date: Mon Aug 25 2014 - 06:40:48 CDT

When i compile NAMD,i use mpiicpc,and compiler is icpc,with cuda 6.5.I can
compile it with no error message,but when i run a program,it says
"segmentation fault"
But if i don't use cuda,the program can run.
If i compile NAMD with mpicxx,gcc with cuda,the program can run.

here is my compiling progress:
tar -xvf NAMD_CVS-2014-08-25_Source.tar.gz

cd NAMD_CVS-2014-08-25_Source

tar -xvf charm-6.6.0-rc4.tar

cd charm-6.6.0-rc4

env MPICXX=mpiicpc ./build charm++ mpi-linux-x86_64 --with-production

./config Linux-x86_64-icc --charm-base charm-6.6.0-rc4 --charm-arch
mpi-linux-x86_64 --with-tcl --tcl-prefix ~/tcl-threaded/ --with-fftw
--fftw-prefix ~/fftw --with-cuda --cuda-prefix /public/opt/cuda-6.5
--cuda-gencode arch=compute_35,code=sm_35 --cuda-gencode

gmake -j16

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