[QE-users] [QE-GPU] Seeking Step-by-Step Installation Guide for GPU Version of Quantum Espresso (Miguel Urbiztondo) (Miguel Urbiztondo)

[Robinson Juma Musembi]

Dear Miguel
the command --with-cuda-cc=xx is machine specific, to get details for your
specific machine run the following command at the terminal
nvaccelinfo
This will produce some useful information for example
$ nvaccelinfo | grep -e 'Target' -e 'Driver'
CUDA Driver Version:           11000
Default Target:                cc70
You will input as
./configure --enable-openmp --with-cuda-mpi=yes
--with-cuda-prefix=/usr/local/2023/cuda --with-cuda-cc=70
--with-cuda-runtime=11.0

for openmpi use folder named 2023 instead of 23.3 as for example

 ./configure --with-cuda=/usr/local/Linux_x86_64/2023/cuda/
--prefix=/usr/local/openmpi-4.1.5/
path where hpc_sdk cuda has been installed example
=/usr/local/Linux_x86_64/2023/cuda/
path where you want to install openmpi example = /usr/local/openmpi-4.1.5/
regards

*Robinson J.  Musembi*
Solid State and Materials Research
Department of Physics, University of Nairobi

-- 
-----------------------------------------
A KEBS 9001:2015 Certified 
Organization, No. KEBS/QMS/RF:064 Rev. 03



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