[QE-users] QE v.6.8 installation on M1 mac

[Ye Luo]

Could you try CMake?
https://gitlab.com/QEF/q-e/-/wikis/Developers/CMake-build-system
Ye
===================
Ye Luo, Ph.D.
Computational Science Division & Leadership Computing Facility
Argonne National Laboratory


On Sat, Dec 18, 2021 at 5:20 AM Viejay Ordillo <vjordillo at gmail.com> wrote:

> Dear QE users,
> I've been trying to install quantum espresso v.6.8 on my mac computer (M1
> chip), but I keep getting errors along the process. Configuring with *./configure
> CPP="gcc -E" *was successful. However, when I tried to use *make all *command,
> it threw me this error:
> checking build system type... Invalid configuration
> `aarch64-apple-darwin20.6.0': machine `aarch64-apple' not recognized
> configure: error: /bin/sh ./config/config.sub aarch64-apple-darwin20.6.0
> failed
> if test -d src/ ; then \
> ( cd src/ ; make ) ; fi
> make[3]: *** No rule to make target `device_auxfunc_mod.o', needed by
> `deviceXlib_mod.o'. Stop.
> make[2]: *** [libsrc] Error 2
> make[1]: *** [libcuda_devxlib] Error 2
> make: *** [libcuda] Error 2
> I found a similar case from QE mailing list threads (
> https://www.mail-archive.com/users@lists.quantum-espresso.org/msg41460.html
> <https://www.researchgate.net/deref/https%3A%2F%2Fwww.mail-archive.com%2Fusers%40lists.quantum-espresso.org%2Fmsg41460.html>).
> I followed the instructions from there but in the end, I was still met with
> an error like this:
> mpif90 -O3 -g -fallow-argument-mismatch -cpp -D__FFTW -D__MPI
> -I/Users/houtarou/qe-6.8//external/devxlib/src
> -I/Users/houtarou/qe-6.8//include -I/Users/houtarou/qe-6.8//FoX/finclude
> -I../UtilXlib -I../external/devxlib/src -c virtual_v2.f90
> mpif90 -g -o virtual_v2.x virtual_v2.o libupf.a -L/usr/local/lib -llapack
> -lblas -lblas
> Undefined symbols for architecture arm64:
> "___mp_MOD_mp_sum_rm", referenced from:
> _init_us_0_ in libupf.a(init_us_0.o)
> "___mp_MOD_mp_sum_rt", referenced from:
> _init_us_0_ in libupf.a(init_us_0.o)
> "___mp_MOD_mp_sum_rv", referenced from:
> _init_us_0_ in libupf.a(init_us_0.o)
> "_divide_", referenced from:
> _init_us_0_ in libupf.a(init_us_0.o)
> "_start_clock_", referenced from:
> _init_us_0_ in libupf.a(init_us_0.o)
> "_stop_clock_", referenced from:
> _init_us_0_ in libupf.a(init_us_0.o)
> ld: symbol(s) not found for architecture arm64
> collect2: error: ld returned 1 exit status
> make[1]: *** [virtual_v2.x] Error 1
> make: *** [libupf] Error 1
> There's no update from the thread until now. I don't know how to move
> forward. I hope you could help with this. Thank you.
> Regards,
> Viejay Ordillo
> Graduate Student
> University of the Philippines Diliman
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
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