Some hints for Macintosh can be found here:
https://www.quantum-espresso.org/Doc/user_guide/node16.html#SECTION00039500000000000000
Errors in mpi_init may derive from a mismatch between the linked MPI
libraries and the MPI run-time software
Paolo
On 05/05/2022 23:21, Salvatore Candita wrote:
Hi Hsin-Yu,
First of all, thank you for your answer. Anyway, I finally came up with
a “solution” found on the web.
First of all, after the command "./configure” , I edited the file
“make.inc” substituting under the heading CPP "gcc -E” instead the
standard “cpp". Then, running "make pw” in the terminal it created the
bin file and everything seemed ok but trying to run an example contained
in the folder PW, it gave me error regarding MPI_Init even if I
installed open-mpi with home-brew.
I tried your procedure using those commands but it failed and didn’t
create the bin folder; In the following there is the screenshot of the
error.
Thanks everyone and best regards!
Il giorno 5 mag 2022, alle ore 18:54, Hsin-Yu Ko
<[email protected] <mailto:[email protected]>> ha scritto:
Hi Salvatore,
I recall a similar situation when working with a colleague (Ju-an
Zhang) on QE compilation for a Mac m1. He had success with combined
use of cmake and ninja by running the following in the root directory
of QE:
$ cmake -GNinja -Bbuild
$ cd build
$ ninja pw
Not sure if it will work out of the box on your machine, but it may be
an alternative route.
Best,
Hsin-Yu
--
Hsin-Yu Ko
Postdoctoral Research Fellow
Department of Chemistry and Chemical Biology
Cornell University
------------------------------------------------------------------------
*From:*users <[email protected]
<mailto:[email protected]>> on behalf of Paolo
Giannozzi <[email protected] <mailto:[email protected]>>
*Sent:*Wednesday, May 4, 2022 10:36 AM
*To:*Salvatore Candita <[email protected]
<mailto:[email protected]>>
*Cc:*[email protected]
<mailto:[email protected]>
<[email protected]
<mailto:[email protected]>>
*Subject:*Re: [QE-users] Make problem on qe
The "success" message is issued by the autoconf file
"../install/configure", which is run at the end of the "./configure"
script. You should verify what happens before.
On 04/05/2022 16:22, Salvatore Candita wrote:
> Oh I see, but if I followed the steps on the user guide and runner the
> command ./configure on the console in the directory I obtained a success
> message but the make.depend file is not created.
> If I run the exe file configure contained in the folder it seems nothing
> happens.
>
>
>> Il giorno 4 mag 2022, alle ore 16:08, Paolo Giannozzi
>> <[email protected] <mailto:[email protected]>
<mailto:[email protected] <mailto:[email protected]>>>
ha scritto:
>>
>> On 04/05/2022 15:05, Salvatore Candita wrote:
>>
>>> I’m trying to compile quantum espresso packages on Mac m1
>>
>> good luck
>>
>>> and after having successfully configured
>>
>> had you successfully configured, the build would not fail with the
>> message "make.depend not found". Those files are generated when you
>> run the "configure" script (the one in the directory where QE is, not
>> the one in install/). The error message means that there is no
>> UtilXlib/make.depend file
>>
>> Paolo
>>
>> --
>> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>> Phone +39-0432-558216, fax +39-0432-558222
>
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu
<http://www.max-centre.eu/>)
users mailing [email protected]
<mailto:[email protected]>
https://lists.quantum-espresso.org/mailman/listinfo/users
<https://lists.quantum-espresso.org/mailman/listinfo/users>
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
