[Pw_forum] Problem with espresso and cuda 6.0

Filippo Spiga spiga.filippo at gmail.com
Sat Jul 12 15:36:17 CEST 2014

Dear Fabricio,

On Jul 11, 2014, at 2:55 AM, Fabricio Cannini <fcannini at gmail.com> wrote:
> ./configure BLAS_LIBS=-lopenblas 
> --enable-cuda --with-cuda-dir=/usr/local/cuda-6.0/ --with-gpu-arch=sm_35

Is there any reason why you select "-D__DISABLE_CUDA_ADDUSDENS -D__DISABLE_CUDA_VLOCPSI"? Do you have an input case that generate weird/wrong results if these two routines are enabled?

> Any one of thess fails with the following messages:
> "espresso-5.1/PW/src/newd.f90:33: undefined reference to newq_compute_gpu_"
> "espresso-5.1/Modules/mp.f90:184: undefined reference to initcudaenv_"
> "espresso-5.1/Modules/mp.f90:213: undefined reference to closecudaenv_"

I got the problem and I will fix it but It will not appear in the package until next release. 


Mr. Filippo SPIGA, M.Sc.
http://www.linkedin.com/in/filippospiga ~ skype: filippo.spiga

«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert

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