Dear Takahiro Chiba, Thanks for your email. I have removed the libxc path. But as my MKL doesn't have a fftw library, I have to use fftw libraries from my local fftw_folder.
Although, it seems that the errors before are eliminated, another error came out after the compilation as shown below. I have attached the "make.inc" for your reference. ========== make[1]: Entering directory `/home/proj/21/isuch/soft/QE/q-e-qe-6.8/upflib' mpiifort -O2 -assume byterecl -g -traceback -openmp -nomodule -fpp -D__FFTW -D__MPI -D__SCALAPACK -I/home/proj/21/isuch/soft/QE/q-e-qe-6.8/include -I/home/proj/21/isuch/soft/QE/q-e-qe-6.8/FoX/finclude -I/home/proj/21/isuch/soft/fftw/include -I/opt/intel/composer_xe_2013.1.117/mkl/include -I/home/proj/21/isuch/soft/QE/q-e-qe-6.8/Modules -I/home/proj/21/isuch/soft/QE/q-e-qe-6.8/FoX/finclude -I../UtilXlib -I../external/devxlib/src -c init_us_2_base_gpu.f90 init_us_2_base_gpu.f90(24): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [DEVICE_FBUFF_M] USE device_fbuff_m, ONLY : dev_buf ------^ init_us_2_base_gpu.f90(95): error #6406: Conflicting attributes or multiple declaration of name. [DEV_BUF] CALL dev_buf%lock_buffer(vkb1_d, (/ npw_, nhm /), istat(1) ) . . . . . init_us_2_base_gpu.f90(24): error #6580: Name in only-list does not exist. [DEV_BUF] USE device_fbuff_m, ONLY : dev_buf -------------------------------^ compilation aborted for init_us_2_base_gpu.f90 (code 1) make[1]: *** [init_us_2_base_gpu.o] Error 1 make[1]: Leaving directory `/home/proj/21/isuch/soft/QE/q-e-qe-6.8/upflib' make: *** [libupf] Error 1 ============= thanks........ On Mon, Aug 2, 2021 at 1:52 PM Takahiro Chiba < [email protected]> wrote: > Dear Venkatesh, > > First of all, I am not a professor, just a graduate school student. > > According to errors, I think it is related to libxc. I cannot advise > you on this because I don't know much. I recommend that you should > firstly compile with minimal dependencies, which means, how about with > neither libxc nor fftw3? As far as I know, you don't need to link > FFTW3 because MKL offers FFT(-D__DFTI). > > P.S. > Please disclose your academic affiliation. Here, almost everyone does. > > ---Sender--- > Takahiro Chiba > 1st-year student at grad. school of chem. sci. and eng., Hokkaido Univ. > Expected graduation date: Mar. 2023 > [email protected] > ----- > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > -- Venkatesh Postdoctoral Fellow, Department of Instrumentation and Applied Physics IISc Bangalore, India
make.inc
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