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

kuangll kuangll at aliyun.com
Tue Dec 7 13:48:29 CET 2021


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 -Mpreprocess -Mlarge_arrays -mp -D__CUDA -D__USE_CUSOLVER -D__FFTW3 -D__MPI -cuda -gpu=cc80,cuda11.4 -I/qe/q-e-qe-7.0-rc1//external/devxlib/src -I/qe/q-e-qe-7.0-rc1//external/devxlib/include -acc -I/qe/q-e-qe-7.0-rc1//external/devxlib/src -I/qe/q-e-qe-7.0-rc1//include -I/qe/q-e-qe-7.0-rc1//FoX/finclude -c la_types.f90
NVFORTRAN-F-0906-Can't find include file fftw3.f03 (fft_scalar.FFTW3.f90: 40)
NVFORTRAN/x86-64 Linux 21.9-0: compilation aborted
NVFORTRAN-W-0006-Input file empty (fft_scalar.ESSL.f90)
NVFORTRAN/x86-64 Linux 21.9-0: compilation completed with warnings
NVFORTRAN-W-0006-Input file empty (fft_scalar.FFTW.f90)
NVFORTRAN/x86-64 Linux 21.9-0: compilation completed with warnings
make[1]: *** [../make.inc:16: fft_scalar.FFTW3.o] Error 2
make[1]: *** Waiting for unfinished jobs....

I check there's no file fftw3.f09 in LAXlib directory.  Where can I get this file? 

Thanks.

-----------------------------------------------------------
Lvlin Kuang
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