[gmx-users] Problem compiling Gromacs 4.6.3 with CUDA

[ahmed.sajid at stfc.ac.uk]

Hi,

I'm having trouble compiling v 4.6.3 with GPU support using CUDA 5.5.22.

The configuration runs okay and I have made sure that I have set paths correctly.

I'm getting errors:

$ make
[  0%] Building NVCC (Device) object src/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir//./cuda_tools_generated_pmalloc_cuda.cu.o
icc: command line warning #10006: ignoring unknown option '-dumpspecs'
/usr/lib/gcc/x86_64-redhat-linux/4.4.7/../../../../lib64/crt1.o: In function `_start':
(.text+0x20): undefined reference to `main'
CMake Error at cuda_tools_generated_pmalloc_cuda.cu.o.cmake:206 (message):
  Error generating
  /apps/src/gromacs/gromacs-4.6.3/src/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir//./cuda_tools_generated_pmalloc_cuda.cu.o


make[2]: *** [src/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir/./cuda_tools_generated_pmalloc_cuda.cu.o] Error 1
make[1]: *** [src/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir/all] Error 2
make: *** [all] Error 2

Any help would be appreciated.

Regards,
Ahmed.

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