Re: [QE-users] QE Multi-GPU mpirun run command

2023-01-02 Thread Louis Stuber via users
Dear Vijeta, Based on QE error convention codes in mp_world.f90, I think this error is CUDA_ERROR_UNSUPPORTED_PTX_VERSION. It can come from an outdated driver, or not passing the right flags to NVCC ("-arch sm_70") or PGI (“-gpu=cc70”). Are you sure that your build really runs with 1 GPU ? In

Re: [QE-users] [QE 7.0/GPU] Run built with CMake fails with cuFFT error

2022-05-23 Thread Louis Stuber via users
Hi Robert, I think it's an issue with PGI in NVHPC 22.3. Please use NVHPC 21.9 instead (PGI compiler). Normally the configure script should catch it and prevent using NVHPC 22.3, unfortunately the check has been introduced only after QE 7.0. Best, Louis From: users On Behalf Of Robert

Re: [QE-users] [QE-GPU] Performance of the NGC Container

2021-07-16 Thread Louis Stuber via users
Hi Jonathan, Thanks for your message and apologies for the late reply, as Paolo mentioned, the GPU version should never be slower than the CPU one except if it calls routines which are not implemented (fortunately the one you talked about has been implemented recently). * CUDA-aware MPI