Hello you need to specifu --with-cuda-runtime=<value>, where value is a version of the runtime supported by your compiler, I guess 11.8 should do. Hope it helps Pietro
________________________________ From: users <users-boun...@lists.quantum-espresso.org> on behalf of R T Phillips via users <users@lists.quantum-espresso.org> Sent: Thursday, January 30, 2025 12:23 To: users@lists.quantum-espresso.org <users@lists.quantum-espresso.org> Subject: [QE-users] QE-GPU - cudafor not found I have been trying to compile Quantum Espresso for use on this system: Intel i9-14900 (24 core) Linux Mint 22.1 Cinnamon version 6.4.6 Nvidia GeForce RTX 4070 with: nvhpc_2024_2411_Linux_x86_64_cuda_12.6 openmpi5.0.6 qe 7.3.1 PATH and LD_LIBRARY_PATH point to all the recommended folders. Compilers set to nvc, nvc++, nvfortran from nvhpc; mpif90 from openmpi also tried. ./configure --enable-parallel --with-cuda=$NVHPC_CUDA_HOME --with-cuda-cc=89 --with-cuda-mpi=yes --enable-openmp this stops with: checking whether Fortran compiler accepts -cuda -gpu=cuda10.1... no configure: error: You do not have the cudafor module. Are you using NVHPC compiler? ... well, yes. What then? I have searched for info about whether the nvhpc should include cudafor, and if so, how to make it visible. There are discussions related to distributions prior to hpc_sdk, but I can't find up-to-date advice ie after cuda was incorporated in the hpc_sdk. I switched to F90=mpif90 from openmpi-5.0.6 and hit the same problem. Is there a solution to this? Clearly I want to use all the cores in the CPU and those in the GPU to optimise throughput. Thanks to anyone who can help! Richard Phillips, Cavendish Laboratory, UK _______________________________________________________________________________ The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare. -------------------------------------------------------------------------------- Quantum ESPRESSO is supported by MaX (www.max-centre.eu<http://www.max-centre.eu>) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users ________________________________ From: users <users-boun...@lists.quantum-espresso.org> on behalf of R T Phillips via users <users@lists.quantum-espresso.org> Sent: Thursday, January 30, 2025 12:23 To: users@lists.quantum-espresso.org <users@lists.quantum-espresso.org> Subject: [QE-users] QE-GPU - cudafor not found I have been trying to compile Quantum Espresso for use on this system: Intel i9-14900 (24 core) Linux Mint 22.1 Cinnamon version 6.4.6 Nvidia GeForce RTX 4070 with: nvhpc_2024_2411_Linux_x86_64_cuda_12.6 openmpi5.0.6 qe 7.3.1 PATH and LD_LIBRARY_PATH point to all the recommended folders. Compilers set to nvc, nvc++, nvfortran from nvhpc; mpif90 from openmpi also tried. ./configure --enable-parallel --with-cuda=$NVHPC_CUDA_HOME --with-cuda-cc=89 --with-cuda-mpi=yes --enable-openmp this stops with: checking whether Fortran compiler accepts -cuda -gpu=cuda10.1... no configure: error: You do not have the cudafor module. Are you using NVHPC compiler? ... well, yes. What then? I have searched for info about whether the nvhpc should include cudafor, and if so, how to make it visible. There are discussions related to distributions prior to hpc_sdk, but I can't find up-to-date advice ie after cuda was incorporated in the hpc_sdk. I switched to F90=mpif90 from openmpi-5.0.6 and hit the same problem. Is there a solution to this? Clearly I want to use all the cores in the CPU and those in the GPU to optimise throughput. Thanks to anyone who can help! Richard Phillips, Cavendish Laboratory, UK _______________________________________________________________________________ The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare. -------------------------------------------------------------------------------- Quantum ESPRESSO is supported by MaX (www.max-centre.eu<http://www.max-centre.eu>) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________________________________________ The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare. -------------------------------------------------------------------------------- Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
