[QE-users] Make problem on qe

[Salvatore Candita]

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 <hsin-yu.ko at cornell.edu> 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 <users-bounces at lists.quantum-espresso.org> on behalf of Paolo Giannozzi <paolo.giannozzi at uniud.it>
> Sent: Wednesday, May 4, 2022 10:36 AM
> To: Salvatore Candita <s296230 at studenti.polito.it>
> Cc: users at lists.quantum-espresso.org <users at lists.quantum-espresso.org>
> 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 
> >> <paolo.giannozzi at uniud.it <mailto:paolo.giannozzi at uniud.it <mailto:paolo.giannozzi at uniud.it>>> 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
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