[CP2K-user] [CP2K:17836] Re: pw_gpu_internal error using Intel compilers

[jerryt...@gmail.com]

Hi Ole,
Thank you for the patch.  It worked.

Jerry

On Sunday, October 9, 2022 at 3:53:13 PM UTC-4 Ole Schütt wrote:

> 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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