[QE-users] Installation error of QE 7.1 with oneAPI

[Jibiao Li]

Dear All,


I try to install QE 7.1 with oneAPI on my computer, but an error below appeared, 


mpiifort -O3 -assume byterecl -g -traceback -nomodule -fpp -allow nofpp_comments -D__LIBXC -D__DFTI -D__MPI   -I/home/jibiaoli/codes/espresso-7.1//external/devxlib/src -I. -I/home/jibiaoli/codes/espresso-7.1//include -I/home/jibiaoli/codes/espresso-7.1//FoX/finclude  -I/home/jibiaoli/intel/oneapi/mkl/2021.3.0/include -I/home/jibiaoli/codes/libxc-4.3.4/include/ -I../UtilXlib -I../external/devxlib/src -c gen_us_dj_gpu.f90
gen_us_dj_gpu.f90(25): error #7002: Error in opening the compiled module file.  Check INCLUDE paths.   [DEVICE_FBUFF_M]
  USE device_fbuff_m,   ONLY: dev_buf
------^
gen_us_dj_gpu.f90(25): error #6580: Name in only-list does not exist or is not accessible.   [DEV_BUF]
  USE device_fbuff_m,   ONLY: dev_buf
------------------------------^
gen_us_dj_gpu.f90(12): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value.   [DVKB_D]
       omega, nr1, nr2, nr3, eigts1_d, eigts2_d, eigts3_d, mill_d, g_d, dvkb_d )
------------------------------------------------------------------------^
compilation aborted for gen_us_dj_gpu.f90 (code 1)
make[1]: *** [../make.inc:16: gen_us_dj_gpu.o] Error 1
make[1]: Leaving directory '/home/jibiaoli/codes/espresso-7.1/upflib'
make: *** [Makefile:212: libupf] Error 1



Any idea to resolve this error? Thank you very much


Regards


Jibiao Li

Department of Materials Science and Engineering

Yangtze Normal University

Juxian Avenue 16, Fuling, Chongqing, China 408100



Scopus Research ID: 54944118000

Web of Science Research ID: F-1905-2016





 
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