[Pw_forum] Problem with espresso and cuda 6.0

[Fabricio Cannini]

2014-07-12 10:36 GMT-03:00 Filippo Spiga <spiga.filippo at gmail.com>:

> Dear Fabricio,
>

Hi Filippo


> On Jul 11, 2014, at 2:55 AM, Fabricio Cannini <fcannini at gmail.com> wrote:
> > ./configure BLAS_LIBS=-lopenblas
> > MANUAL_DFLAGS="-D__DISABLE_CUDA_ADDUSDENS -D__DISABLE_CUDA_VLOCPSI"
> > --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?
>

Like I said in a previous email, I cannot compile cp-gpu and neb-gpu
without using these two flags.


> > 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.
>

5.1.1 ?

Ok then, I'll hack something for the time being.
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