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

[Ye Luo]

Also make sure you have a clean source directory before you start. Module
files built previously may cause troubles.
Ye
===================
Ye Luo, Ph.D.
Computational Science Division & Leadership Computing Facility
Argonne National Laboratory


On Sat, Dec 18, 2021 at 11:10 AM Ye Luo <xw111luoye at gmail.com> wrote:

> 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
>> https://lists.quantum-espresso.org/mailman/listinfo/users
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20211218/4b005f63/attachment.html>