On 2/5/25 12:09, R T Phillips via users wrote:
After installation of the nvhpc, nvaccelinfo produces the following
output. Does this demonstrate that a "proper parallel environment" can
be detected, as mentioned in the QE Guide?
it demonstrates that you have a GPU, but little more than that:
"proper parallel environment" == "MPI libraries + fortran compiler".
You do not need MPI if you have just one GPU by the way.
Paolo
After the installation of nvhpc, I have tried both the
default .configure, and also a bash script of QE-7.3.1 (see attached),
setting the environment variables specified in $2.4 of the QE Users'
Guide, and nvhpc.
Both produce config.log files which reveal problems in finding various
components - the Guide warns that this might occur. I have trawled many
websites for a solution but have not resolved this problem. I have
tried some variants of the above, which have led to apparently
successful configuration runs, but 'make' subsequently fails.
It is pretty obvious that I am completely inexpert at this, and would
greatly appreciate advice if anyone can spot what I am doing incorrectly.
Richard Phillips, Cavendish Lab. UK
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
_______________________________________________________________________________
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
