Hi Ole,<div>Thank you for the patch. It worked.</div><div><br></div><div>Jerry<br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Sunday, October 9, 2022 at 3:53:13 PM UTC-4 Ole Schütt wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div>Hi Jerry,</div><div><br></div><div>thanks a lot for the report!</div><div><br></div><div>To fix this you can apply the following patch: <a href="https://github.com/cp2k/cp2k/commit/ee6c3aa.patch" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://github.com/cp2k/cp2k/commit/ee6c3aa.patch&source=gmail&ust=1665575639685000&usg=AOvVaw2R5MOKwwaCyKQ_l7zCnEuJ">https://github.com/cp2k/cp2k/commit/ee6c3aa.patch</a></div><div><br></div><div>-Ole<br></div><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Saturday, October 8, 2022 at 4:31:07 PM UTC+2 <a href data-email-masked rel="nofollow">jerryt...@gmail.com</a> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Dear Forum,<div>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:</div><div><br></div><div>--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</div><div><br></div><div>I'm using cuda-11.2, Intel 2021.3. The psmp arch file is attached.</div><div>I am getting the error below during cp2k compile.</div><div><div><br></div><div>/cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(228): error #188: enumerated type mixed with another type<br> fft_3d(OFFLOAD_FFT_FORWARD, npts[2], npts[1], npts[0], buffer_dev_2);<br> ^<br><br>/cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(273): error #188: enumerated type mixed with another type<br> fft_3d(OFFLOAD_FFT_INVERSE, npts[2], npts[1], npts[0], buffer_dev_2);<br> ^<br><br>/cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(305): error #188: enumerated type mixed with another type<br> fft_1d(OFFLOAD_FFT_FORWARD, npts[2], npts[0] * npts[1], buffer_dev_2,<br> ^<br><br>/cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(307): error #188: enumerated type mixed with another type<br> fft_1d(OFFLOAD_FFT_FORWARD, npts[1], npts[0] * npts[2], buffer_dev_1,<br> ^<br><br>/cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(338): error #188: enumerated type mixed with another type<br> fft_1d(OFFLOAD_FFT_INVERSE, npts[1], npts[0] * npts[2], buffer_dev_1,<br> ^<br><br>/cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(340): error #188: enumerated type mixed with another type<br> fft_1d(OFFLOAD_FFT_INVERSE, npts[2], npts[0] * npts[1], buffer_dev_2,<br> ^<br><br>/cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(372): error #188: enumerated type mixed with another type<br> fft_1d(OFFLOAD_FFT_FORWARD, npts[2], npts[0] * npts[1], buffer_dev_2,<br> ^<br><br>/cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(402): error #188: enumerated type mixed with another type<br> fft_1d(OFFLOAD_FFT_INVERSE, npts[2], npts[0] * npts[1], buffer_dev_1,<br> ^<br><br>/cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(434): error #188: enumerated type mixed with another type<br> fft_1d(OFFLOAD_FFT_FORWARD, n, m, buffer_dev_1, buffer_dev_2);<br> ^<br><br>/cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(436): error #188: enumerated type mixed with another type<br> fft_1d(OFFLOAD_FFT_INVERSE, n, m, buffer_dev_1, buffer_dev_2);<br> ^<br><br>/cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(470): error #188: enumerated type mixed with another type<br> fft_1d(OFFLOAD_FFT_FORWARD, npts[0], mmax, buffer_dev_1, buffer_dev_2);<br> ^<br><br>/cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c(515): error #188: enumerated type mixed with another type<br> fft_1d(OFFLOAD_FFT_INVERSE, npts[0], mmax, buffer_dev_2, buffer_dev_1);<br> ^<br><br>compilation aborted for /cluster/home/tanoury/CP2K/cp2k-2022.1_Intel2/src/pw/gpu/pw_gpu_internal.c (code 2)<br>make[3]: *** [pw_gpu_internal.o] Error 2<br>make[3]: *** Waiting for unfinished jobs....<br>icc: command line warning #10006: ignoring unknown option '-nofor-main'<br>icc: command line warning #10148: option '-Wno-vla-parameter' not supported<br>make[2]: *** [all] Error 2<br>make[1]: *** [ssmp] Error 2<br>make[2]: *** [all] Error 2<br>make[1]: *** [psmp] Error 2<br>make[3]: *** wait: No child processes. Stop.<br>make[2]: *** [all] Error 2<br>make[1]: *** [sdbg] Error 2<br>make: *** [all] Error 2<br></div></div><div><br></div><div>How can I fix this? Thank you for your help.</div><div><br></div><div>Jerry</div></blockquote></div></blockquote></div>
<p></p>
-- <br />
You received this message because you are subscribed to the Google Groups "cp2k" group.<br />
To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>.<br />
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/b6ac0bc3-e568-4169-b557-b53a7494311fn%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/b6ac0bc3-e568-4169-b557-b53a7494311fn%40googlegroups.com</a>.<br />