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)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
