Hi everyone, I am trying to build gromacs with cuda 11.4.1 with the eb file in the subject line.
I am using this command eb GROMACS-2021.5-foss-2021b-CUDA-11.4.1.eb --robot --optarch=GENERIC - -cuda-compute-capabilities=8.6 I am getting an error: -- Check for working NVCC/C compiler combination - broken -- /apps/software/CUDA/11.4.1/bin/nvcc standard output: '' -- /apps/software/CUDA/11.4.1/bin/nvcc standard error: '/usr/include/stdio.h(189): error: attribute "__malloc__" does not take arguments /usr/include/stdio.h(201): error: attribute "__malloc__" does not take arguments /usr/include/stdio.h(223): error: attribute "__malloc__" does not take arguments /usr/include/stdio.h(260): error: attribute "__malloc__" does not take arguments /usr/include/stdio.h(285): error: attribute "__malloc__" does not take arguments /usr/include/stdio.h(294): error: attribute "__malloc__" does not take arguments /usr/include/stdio.h(303): error: attribute "__malloc__" does not take arguments /usr/include/stdio.h(309): error: attribute "__malloc__" does not take arguments /usr/include/stdio.h(315): error: attribute "__malloc__" does not take arguments /usr/include/stdio.h(830): error: attribute "__malloc__" does not take arguments /usr/include/stdlib.h(566): error: attribute "__malloc__" does not take arguments /usr/include/stdlib.h(570): error: attribute "__malloc__" does not take arguments /usr/include/stdlib.h(799): error: attribute "__malloc__" does not take arguments 13 errors detected in the compilation of "/apps/tmp/GROMACS/2021.5/foss-2021b-CUDA-11.4.1/gromacs- 2021.5/cmake/TestCUDA.cu". details of my system uname -a Linux genoa 5.15.0-75-generic #82-Ubuntu SMP Tue Jun 6 23:10:23 UTC 2023 x86_64 x86_64 x86_64 GNU/Linux lsb_release -a No LSB modules are available. Distributor ID: Ubuntu Description: Ubuntu 22.04.2 LTS Release: 22.04 Codename: jammy Any help is much appreciated. Kind regards Borut
