[QE-developers] building gpu version on rhel 9

[Paolo Giannozzi]

Hi

yes, this is (still) the right venue.

In the main repository, the only supported GPU hardware/software combo 
is NVidia GPUs + NVidia hpc_sdk (nvfortran compiler). "configure 
--with-cuda ..." assumes that you have the nvfortran compiler (v.21.7 or 
later, this is the check that fails).

If you have evidence that gfortran can now support NVidia GPUs via 
OpenACC, you may try it, but you should start from a make.inc file for 
gfortran and add the needed options.

Paol

On 10/20/2025 11:09 PM, Lee Latham wrote:
> 	
> Hi there,
> I'm sorry if this isn't the right venue to ask but I can't seem to find 
> anything more appropriate.  I'm getting an odd configure failure telling 
> me my compiler is too old...but, which one?  I can't identify a typical 
> compiler that is even close to the version number required.  Any input 
> would be appreciated!  some output below:
> 
> checking whether cc accepts -g... yes
> checking for cc option to accept ISO C89... none needed
> setting CC... cc
> setting CFLAGS... -O3
> using F90... gfortran
> setting FFLAGS... -O3 -g -fallow-argument-mismatch -fopenmp
> setting F90FLAGS... $(FFLAGS) -cpp -fopenmp
> setting FFLAGS_NOOPT... -O0 -g
> setting CPP... cpp
> setting CPPFLAGS... -P -traditional -Uvector
> setting LD... gfortran
> setting LDFLAGS... -g -pthread -fopenmp
> configure: WARNING: Compiler version too old, use at least 21.7
> configure: error: Compiler version too old, use at least 21.7
> [root at pn1tb qe-7.5]# gcc --version
> gcc (GCC) 11.5.0 20240719 (Red Hat 11.5.0-5)
> Copyright (C) 2021 Free Software Foundation, Inc.
> This is free software; see the source for copying conditions.  There is NO
> warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
> 
> 
> [root at pn1tb qe-7.5]# gfortran --version
> GNU Fortran (GCC) 11.5.0 20240719 (Red Hat 11.5.0-5)
> Copyright (C) 2021 Free Software Foundation, Inc.
> This is free software; see the source for copying conditions.  There is NO
> warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
> 
> 
> [root at pn1tb qe-7.5]# cc --version
> cc (GCC) 11.5.0 20240719 (Red Hat 11.5.0-5)
> Copyright (C) 2021 Free Software Foundation, Inc.
> This is free software; see the source for copying conditions.  There is NO
> warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
> 
> 
> 
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216