Linking Problems when compiling NWChem 6.3


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Quote:Edoapra May 20th 9:46 am
Doudou,
Have you tried to do a regular NWChem installed without any Cuda bit? Was it successful?
Please do not set the FFLAGS variable since the NWChem makefle structure takes care of it.

As far as Cuda is concerned, I have a few questions for you:

1) Could you please show me the files that appear in you CUDA Library directories. What CUDA version have you installed?
2) Do you have g++ installed?
3) What kind of GPU Hardware do you have



Hi Edo,

NWChem 6.3 compiles and links fine without the GPU module.

1) I have CUDA version 5.0 installed the following is the content of the CUDA libraries directory

libcublas_device.a   libcudart.so.5.0     libcuinj64.so.5.0     libcusparse.so.5.0     libnvToolsExt.so.5.0
libcublas.so         libcudart.so.5.0.35  libcuinj64.so.5.0.35  libcusparse.so.5.0.35  libnvToolsExt.so.5.0.35
libcublas.so.5.0     libcufft.so          libcurand.so          libnpp.so
libcublas.so.5.0.35  libcufft.so.5.0      libcurand.so.5.0      libnpp.so.5.0
libcudadevrt.a       libcufft.so.5.0.35   libcurand.so.5.0.35   libnpp.so.5.0.35
libcudart.so         libcuinj64.so        libcusparse.so        libnvToolsExt.so


2) Yes, g++ is installed.

3) I have dual GTX 690 (Kepler GK 104) GPUS