[QE-users] [[QE-GPU]Any Plan for PHonon and EPW Module

2022-02-18 Thread kuangll via users
Hi developers, What about the GPU version roadmap for QE, esspecailly for PHonon and EPW module? For example, even for a smaller systems, we spent hours on PWscf, but days on PHonon. Thanks. --- Lvlin Kuang

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

2021-12-09 Thread kuangll via users
on the compile command line. Clearly something is missing. Best, Ye === Ye Luo, Ph.D. Computational Science Division & Leadership Computing Facility Argonne National Laboratory On Tue, Dec 7, 2021 at 6:49 AM kuangll via users wrote: Hi experts, I try to compile the QE - GPU ver

[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