Dear QE users, I'm trying to compile pw.x with SDK 21.5 and CUDA toolkit 11.4 regarding 2 Tesla K20c gpus (Intel Xeon E5-2650 processors). I know the gpuss and packages are working because I was able to compile lammps with them and it works. I have also compiled the test examples provided by Nvidia for SDK and CUDA, including CUDA-Fortran, but I get the following error when trying to configure. I'm probably making some bad QE configuration but could not realise which one... Any hints? Thanks in advance!
Configure command: ./configure --with-cuda=$CUDA_HOME --with-cuda-runtime=11.4 --with-cuda-cc=35 --enable-openmp --with-scalapack=no Last output lines of configure: using F90... nvfortran setting FFLAGS... -O1 setting F90FLAGS... $(FFLAGS) setting FFLAGS_NOOPT... -O0 setting CPP... cpp setting CPPFLAGS... -P -traditional -Uvector setting LD... mpif90 setting LDFLAGS... checking for Fortran flag to compile .f90 files... (cached) none checking whether Fortran compiler accepts -Mcuda=cuda11.4... no configure: error: You do not have the cudafor module. Are you using a PGI compiler? -- Marcelo Falcão de Oliveira Professor Departamento de Engenharia de Materiais EESC - USP Av. João Dagnone, 1100, Jd. Sta Angelina CEP: 13563-120, São Carlos - SP - Brasil e-mail: [email protected] Fone: (16) 3373-9583 Fax: (16) 3373-9590 Agenda: http://www.google.com/calendar/embed?src=marcelo.falcao%40usp.br&ctz=America/Sao_Paulo&mode=week
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