[CP2K-user] [CP2K:17830] Re: pw_gpu_internal error using Intel compilers

[Ole Schütt]

Hi Jerry,

thanks a lot for the report!

To fix this you can apply the following patch: 
https://github.com/cp2k/cp2k/commit/ee6c3aa.patch

-Ole

On Saturday, October 8, 2022 at 4:31:07 PM UTC+2 jerryt... at gmail.com wrote:

> Dear Forum,
> I would like to compile CP2K with intel compilers and cuda gpu libraries.  
> I used the toolchain to generate arch files for v 2022.1.  The settigs are:
>
> --with-mkl=system --enable-cuda --gpu-ver=V100 --no-check-certificate 
> --with-elpa=no --with-sirius=no --with-spla=no --with-cosma=no 
> --with-spglib=no --with-cmake=system --with-intel=system --with-plumed
>
> I'm using cuda-11.2, Intel 2021.3. The psmp arch file is attached.
> I am getting the error below during cp2k compile.
>
> /cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(228): 
> error #188: enumerated type mixed with another type
>     fft_3d(OFFLOAD_FFT_FORWARD, npts[2], npts[1], npts[0], buffer_dev_2);
>            ^
>
> /cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(273): 
> error #188: enumerated type mixed with another type
>     fft_3d(OFFLOAD_FFT_INVERSE, npts[2], npts[1], npts[0], buffer_dev_2);
>            ^
>
> /cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(305): 
> error #188: enumerated type mixed with another type
>     fft_1d(OFFLOAD_FFT_FORWARD, npts[2], npts[0] * npts[1], buffer_dev_2,
>            ^
>
> /cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(307): 
> error #188: enumerated type mixed with another type
>     fft_1d(OFFLOAD_FFT_FORWARD, npts[1], npts[0] * npts[2], buffer_dev_1,
>            ^
>
> /cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(338): 
> error #188: enumerated type mixed with another type
>     fft_1d(OFFLOAD_FFT_INVERSE, npts[1], npts[0] * npts[2], buffer_dev_1,
>            ^
>
> /cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(340): 
> error #188: enumerated type mixed with another type
>     fft_1d(OFFLOAD_FFT_INVERSE, npts[2], npts[0] * npts[1], buffer_dev_2,
>            ^
>
> /cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(372): 
> error #188: enumerated type mixed with another type
>     fft_1d(OFFLOAD_FFT_FORWARD, npts[2], npts[0] * npts[1], buffer_dev_2,
>            ^
>
> /cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(402): 
> error #188: enumerated type mixed with another type
>     fft_1d(OFFLOAD_FFT_INVERSE, npts[2], npts[0] * npts[1], buffer_dev_1,
>            ^
>
> /cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(434): 
> error #188: enumerated type mixed with another type
>       fft_1d(OFFLOAD_FFT_FORWARD, n, m, buffer_dev_1, buffer_dev_2);
>              ^
>
> /cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(436): 
> error #188: enumerated type mixed with another type
>       fft_1d(OFFLOAD_FFT_INVERSE, n, m, buffer_dev_1, buffer_dev_2);
>              ^
>
> /cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(470): 
> error #188: enumerated type mixed with another type
>     fft_1d(OFFLOAD_FFT_FORWARD, npts[0], mmax, buffer_dev_1, buffer_dev_2);
>            ^
>
> /cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(515): 
> error #188: enumerated type mixed with another type
>     fft_1d(OFFLOAD_FFT_INVERSE, npts[0], mmax, buffer_dev_2, buffer_dev_1);
>            ^
>
> compilation aborted for 
> /cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c 
> (code 2)
> make[3]: *** [pw_gpu_internal.o] Error 2
> make[3]: *** Waiting for unfinished jobs....
> icc: command line warning #10006: ignoring unknown option '-nofor-main'
> icc: command line warning #10148: option '-Wno-vla-parameter' not supported
> make[2]: *** [all] Error 2
> make[1]: *** [ssmp] Error 2
> make[2]: *** [all] Error 2
> make[1]: *** [psmp] Error 2
> make[3]: *** wait: No child processes.  Stop.
> make[2]: *** [all] Error 2
> make[1]: *** [sdbg] Error 2
> make: *** [all] Error 2
>
> How can I fix this?  Thank you for your help.
>
> Jerry
>

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