Re: [QE-users] [[QE-GPU]Can't find include file fftw3.f03(QE-7.0-rc1)

2021-12-09 Thread kuangll via users
--- -- From:Ye Luo Sent At:2021 Dec. 8 (Wed.) 00:32 To:kuangll ; Quantum ESPRESSO users Forum Subject:Re: [QE-users] [[QE-GPU]Can't find include file fftw3.f03(QE-7.0-rc1) No matter how many places mention modifying QE make.inc on the internet, touching make.inc or Makefiles are **non-standard** practice

Re: [QE-users] [[QE-GPU]Can't find include file fftw3.f03(QE-7.0-rc1)

2021-12-07 Thread Ye Luo
No matter how many places mention modifying QE make.inc on the internet, touching make.inc or Makefiles are **non-standard** practice and you are responsible and need to be capable of understanding and handling any failures. Instead, non-power users are expected to work with configure/cmake and

Re: [QE-users] [[QE-GPU]Can't find include file fftw3.f03(QE-7.0-rc1)

2021-12-07 Thread Paolo Giannozzi
On Tue, Dec 7, 2021 at 1:49 PM kuangll via users < users@lists.quantum-espresso.org> wrote: > > I check there's no file fftw3.f09 in LAXlib directory. > nor anywhere else: the name of the missing file is "fftw3.f03" Where can I get this file? > it's part of the FFTW3 distribution, not of QE

[QE-users] [[QE-GPU]Can't find include file fftw3.f03(QE-7.0-rc1)

2021-12-07 Thread kuangll via users
Hi experts, I try to compile the QE - GPU version, with version qe-7.0-rc1. I use HPC SDK 21.9, and after successfully configuring, I modify the DFLAGS in make.inc and use -D__FFTW3 instead of -D__FFTW. Then error accur when compiling progress to this step: mpif90 -fast -Mcache_align