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

Sun Dec 19 08:51:51 CET 2021

It's the usual "gfortran and complex functions problem". See 2.8.2.1 here:
https://www.quantum-espresso.org/Doc/user_guide/node15.html#SECTION00038210000000000000

Paolo

On Sun, Dec 19, 2021 at 6:22 AM Viejay Ordillo <vjordillo at gmail.com> wrote:

> Dear Ye,
>
> Thank you for the advice. I followed the instructions from the link you
> provided for CMake installation and while running CTests, it returned me
> this error:
>
> Program received signal SIGBUS: Access to an undefined portion of a memory
> object.
>
>
> Backtrace for this error:
>
> #0  0x100e189b7
>
> #1  0x100e17a4b
>
> #2  0x19a7b2c43
>
> #3  0x100a43c7b
>
> --------------------------------------------------------------------------
>
> Primary job  terminated normally, but 1 process returned
>
> a non-zero exit code. Per user-direction, the job has been aborted.
>
> --------------------------------------------------------------------------
>
> --------------------------------------------------------------------------
>
> mpiexec noticed that process rank 0 with PID 0 on node Mr-Holmes exited on
> signal 10 (Bus error: 10).
>
> --------------------------------------------------------------------------
>
>
>
> 95% tests passed, 1 tests failed out of 21
>
>
> Label Time Summary:
>
> unit    =  17.16 sec*proc (21 tests)
>
>
> Total Test time (real) =   2.65 sec
>
>
> The following tests FAILED:
>
> 19 - test_qe_lapack_zdotc (Failed)
>
> Errors while running CTest
>
> Is this something to worry about? Or I can ignore this and proceed with
> the installation?
>
> Viejay
>
> On Sun, Dec 19, 2021 at 1:15 AM Ye Luo <xw111luoye at gmail.com> wrote:
>
>> 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
>>>
>>> _______________________________________________
>> 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
>
> _______________________________________________
> 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

-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20211219/2083e64c/attachment.html>