[QE-users] Install QE 6.4.1 or QE 6.6 with Libxc.5.1.5 errors

[Hong Tang]

Install QE 6.4.1 or QE 6.6 with Libxc.5.1.5   errors

Dear QE master:

The libxc.5.1.5 was installed correctly by our university HPC team.  I just
want to install QE with this libxc.

1.     I try to install QE 6.4.1 with libxc.5.1.5, I meet errors, when I
config QE by
./configure --enable-openmp --enable-parallel --with-libxc
--with-libxc-prefix=/gpfs/opt/libs/libxc-5.1.5-intel
 --with-libxc-include=/gpfs/opt/libs/libxc-5.1.5-intel/include
The error:
checking for library containing dgemm... -lmkl_intel_lp64
setting BLAS_LIBS... -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core
checking FFT...
checking for libxc... no (-I/gpfs/opt/libs/libxc-5.1.5-intel/include
-L/gpfs/opt/libs/libxc-5.1.5-intel/lib -lxcf90 -lxc)
configure: error: Could not find required libxc library.

2.      When I try to install QE6.6 with libxc.5.1.5, I got the same error
message.

3.    However, When I install QE6.2 with libxc.5.1.5, it was installed
correctly. However,  I found the "  bands.x  "   can not run correctly,  it
always says
"    Reading data from directory:
     ./Silicon.save/

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine pw_readschemafile (1):
     xml data file not found
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
"
although the file " data-file-schema.xml " is in the directory correctly.


Please help me with this.

Looking forward to your help soon.

Best,
Hong
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