<div dir="ltr"><div>Dear Takahiro Chiba,</div><div><br></div><div>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. </div><div><br></div><div>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.</div><div><br></div><div><br></div><div>==========</div><div><br></div><div>make[1]: Entering directory `/home/proj/21/isuch/soft/QE/q-e-qe-6.8/upflib'<br>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<br>init_us_2_base_gpu.f90(24): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [DEVICE_FBUFF_M]<br> USE device_fbuff_m, ONLY : dev_buf<br>------^<br>init_us_2_base_gpu.f90(95): error #6406: Conflicting attributes or multiple declaration of name. [DEV_BUF]<br> CALL dev_buf%lock_buffer(vkb1_d, (/ npw_, nhm /), istat(1) )<br><br>.<br>.<br>.<br>.<br>.<br><br>init_us_2_base_gpu.f90(24): error #6580: Name in only-list does not exist. [DEV_BUF]<br> USE device_fbuff_m, ONLY : dev_buf<br>-------------------------------^<br>compilation aborted for init_us_2_base_gpu.f90 (code 1)<br>make[1]: *** [init_us_2_base_gpu.o] Error 1<br>make[1]: Leaving directory `/home/proj/21/isuch/soft/QE/q-e-qe-6.8/upflib'<br>make: *** [libupf] Error 1<br></div><div><br></div><div>=============</div><div><br></div><div>thanks........</div><div><br></div><div><br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Aug 2, 2021 at 1:52 PM Takahiro Chiba <<a href="mailto:takahiro_chiba@eis.hokudai.ac.jp" target="_blank">takahiro_chiba@eis.hokudai.ac.jp</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Dear Venkatesh,<br>
<br>
First of all, I am not a professor, just a graduate school student.<br>
<br>
According to errors, I think it is related to libxc. I cannot advise<br>
you on this because I don't know much. I recommend that you should<br>
firstly compile with minimal dependencies, which means, how about with<br>
neither libxc nor fftw3? As far as I know, you don't need to link<br>
FFTW3 because MKL offers FFT(-D__DFTI).<br>
<br>
P.S.<br>
Please disclose your academic affiliation. Here, almost everyone does.<br>
<br>
---Sender---<br>
Takahiro Chiba<br>
1st-year student at grad. school of chem. sci. and eng., Hokkaido Univ.<br>
Expected graduation date: Mar. 2023<br>
<a href="mailto:takahiro_chiba@eis.hokudai.ac.jp" target="_blank">takahiro_chiba@eis.hokudai.ac.jp</a><br>
-----<br>
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</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" data-smartmail="gmail_signature"><div dir="ltr">Venkatesh<div>Postdoctoral Fellow, </div><div>Department of Instrumentation and Applied Physics </div><div>IISc Bangalore, India</div></div></div></div>