<div dir="ltr"><div dir="ltr"><br></div><div>Dear QE users,</div><div><br></div><div>The update of the mpi compiler has solved the previous problem. But again there is an error while going on further compilation as shown below. The same type error came when I tried to compile the QE6.4 also . Kindly help me. I am attaching the "make.inc" for your reference.</div><div dir="ltr"><br></div><div>thanks in advance</div><div><br></div><div>venkatesh</div><div dir="ltr"><br></div>==========<div><br></div><div>make[2]: Entering directory `/home/proj/21/isuch/soft/QE/q-e-qe-6.8/PW/src'<br>if test -n "" ; then \<br> ( cd ../.. ; make || exit 1 ) ; fi<br>mpif90 -O3 -g -I/opt/intel/composer_xe_2013.1.117/mkl/include/fftw -cpp -D__DFTI -D__MPI -D__SCALAPACK -D__LIBXC -D__FFTW -I/home/proj/21/isuch/soft/QE/q-e-qe-6.8//external/devxlib/src -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/libxc_install/include -I/home/proj/21/isuch/soft/fftw/include -I/opt/intel/composer_xe_2013.1.117/mkl/include -I/opt/intel/composer_xe_2013.1.117/mkl/include/intel64/lp64 -I/home/proj/21/isuch/intel/compilers_and_libraries_2018.0.128/linux/mpi/intel64/include -I/usr/include -I/home/proj/21/isuch/soft/QE/q-e-qe-6.8//upflib -I/home/proj/21/isuch/soft/QE/q-e-qe-6.8//XClib -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//FFTXlib -I/home/proj/21/isuch/soft/QE/q-e-qe-6.8//LAXlib -I/home/proj/21/isuch/soft/QE/q-e-qe-6.8//UtilXlib -I/home/proj/21/isuch/soft/QE/q-e-qe-6.8//MBD -I/home/proj/21/isuch/soft/QE/q-e-qe-6.8//FoX/finclude -I../../dft-d3/ -c pwscf.f90<br>mpif90 -g -I/home/proj/21/isuch/soft/libxc_install/include -o pw.x \<br> pwscf.o libpw.a ../../Modules/libqemod.a ../../KS_Solvers/libks_solvers.a ../../upflib/libupf.a ../../XClib/xc_lib.a ../../FFTXlib/libqefft.a ../../LAXlib/libqela.a ../../UtilXlib/libutil.a ../../dft-d3/libdftd3qe.a /home/proj/21/isuch/soft/QE/q-e-qe-6.8//clib/clib.a /home/proj/21/isuch/soft/QE/q-e-qe-6.8//MBD/libmbd.a -L/home/proj/21/isuch/soft/QE/q-e-qe-6.8//external/devxlib/src -ldevXlib -L/opt/intel/composer_xe_2013.1.117/mkl/lib/intel64 -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -L/opt/intel/composer_xe_2013.1.117/mkl/lib/intel64 -lmkl_lapack95_lp64 -lpthread -L/home/proj/21/isuch/soft/QE/q-e-qe-6.8//FoX/lib -lFoX_dom -lFoX_sax -lFoX_wxml -lFoX_common -lFoX_utils -lFoX_fsys -L/home/proj/21/isuch/soft/fftw/lib -lfftw3 -L/opt/intel/composer_xe_2013.1.117/mkl/lib/intel64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -L/home/proj/21/isuch/intel/compilers_and_libraries_2018.0.128/linux/mpi/intel64/lib -lmpi -L/home/proj/21/isuch/soft/libxc_install/lib/ -lxcf90 -lxc<br>../../XClib/xc_lib.a(dft_mod.o): In function `xclib_set_dft_from_name':<br>/home/proj/21/isuch/soft/QE/q-e-qe-6.8/XClib/dft_mod.f90:326: undefined reference to `xc_f03_lib_m_mp_xc_f03_func_init_'<br>/home/proj/21/isuch/soft/QE/q-e-qe-6.8/XClib/dft_mod.f90:327: undefined reference to `xc_f03_lib_m_mp_xc_f03_func_get_info_'<br>/home/proj/21/isuch/soft/QE/q-e-qe-6.8/XClib/dft_mod.f90:328: undefined reference to `xc_f03_lib_m_mp_xc_f03_func_info_get_n_ext_params_'<br><br><br>[isuch@delta-cluster q-e-qe-6.8]$ mpif90 -show<br>ifort -I/home/proj/21/isuch/intel/compilers_and_libraries_2018.0.128/linux/mpi/intel64/include/gfortran/5.1.0 -I/home/proj/21/isuch/intel/compilers_and_libraries_2018.0.128/linux/mpi/intel64/include -L/home/proj/21/isuch/intel/compilers_and_libraries_2018.0.128/linux/mpi/intel64/lib/release_mt -L/home/proj/21/isuch/intel/compilers_and_libraries_2018.0.128/linux/mpi/intel64/lib -Xlinker --enable-new-dtags -Xlinker -rpath -Xlinker /home/proj/21/isuch/intel/compilers_and_libraries_2018.0.128/linux/mpi/intel64/lib/release_mt -Xlinker -rpath -Xlinker /home/proj/21/isuch/intel/compilers_and_libraries_2018.0.128/linux/mpi/intel64/lib -Xlinker -rpath -Xlinker /opt/intel/mpi-rt/2017.0.0/intel64/lib/release_mt -Xlinker -rpath -Xlinker /opt/intel/mpi-rt/2017.0.0/intel64/lib -lmpifort -lmpi -lmpigi -ldl -lrt -lpthread<br><br><div><div class="gmail_quote"><div dir="ltr" class="gmail_attr"><br></div><div dir="ltr" class="gmail_attr"><br></div><div dir="ltr" class="gmail_attr">On Fri, Jul 30, 2021 at 4:56 PM venky ch <<a href="mailto:chvenkateshphy@gmail.com">chvenkateshphy@gmail.com</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"><div dir="ltr">Dear QE users,<div> </div><div>Recently, I tried to install the QE 6.8 version. While doing "make pw", I have noticed an error as given below. I have given a search on the internet and found that it is related to the old version of gfortran used here. But this line is compiled using mpif90. Can someone help me to resolve this issue. </div><div><br></div><div>thanks</div><div>venkatesh</div><div><br></div><div>=================</div><div><br></div><div>make[1]: Leaving directory `/home/proj/21/isuch/soft/QE/q-e-qe-6.8/FFTXlib'<br>( cd upflib ; make TLDEPS= all || exit 1 )<br><br>.<br>.<br>.<br>.<br>.<br>mpif90 -O3 -g -I/opt/intel/composer_xe_2013.1.117/mkl/include/fftw -cpp -D__DFTI -D__MPI -D__SCALAPACK -D__LIBXC -D__FFTW -I/home/proj/21/isuch/soft/QE/q-e-qe-6.8//external/devxlib/src -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/opt/intel/composer_xe_2013.1.117/mkl/include -I/home/proj/21/isuch/soft/libxc_install/include -I/opt/intel/impi/<a href="http://4.1.0.024/intel64/include" target="_blank">4.1.0.024/intel64/include</a> -I../UtilXlib -I../external/devxlib/src -c xmltools.f90<br>xmltools.f90:51.16:<br><br> CHARACTER(LEN=:), ALLOCATABLE :: attrlist<br> 1<br>Error: Syntax error in CHARACTER declaration at (1)<br>xmltools.f90:181.31:<br><br> j1 = index ( attrlist(j0:), '=' )<br> 1<br>Error: Syntax error in argument list at (1)<br>xmltools.f90:182.29:<br>.<br>.<br>.<br>.<br>.<br>.<br>.<br>Error: Assumed-shape array 'zmat' at (1) cannot be an argument to the procedure 'c_loc' because it is not C interoperable<br>Fatal Error: Error count reached limit of 25.<br>make[1]: *** [xmltools.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>In version of gfortran is given as </div><div><br></div><div>[isuch@delta-cluster upflib]$ gfortran -v<br>Using built-in specs.<br>Target: x86_64-redhat-linux<br>Configured with: ../configure --prefix=/usr --mandir=/usr/share/man --infodir=/usr/share/info --with-bugurl=<a href="http://bugzilla.redhat.com/bugzilla" target="_blank">http://bugzilla.redhat.com/bugzilla</a> --enable-bootstrap --enable-shared --enable-threads=posix --enable-checking=release --with-system-zlib --enable-__cxa_atexit --disable-libunwind-exceptions --enable-gnu-unique-object --enable-languages=c,c++,objc,obj-c++,java,fortran,ada --enable-java-awt=gtk --disable-dssi --with-java-home=/usr/lib/jvm/java-1.5.0-gcj-1.5.0.0/jre --enable-libgcj-multifile --enable-java-maintainer-mode --with-ecj-jar=/usr/share/java/eclipse-ecj.jar --disable-libjava-multilib --with-ppl --with-cloog --with-tune=generic --with-arch_32=i686 --build=x86_64-redhat-linux<br>Thread model: posix<br>gcc version 4.4.6 20110731 (Red Hat 4.4.6-3) (GCC)<br></div><div><br></div><div><br></div><div><br></div></div>
</blockquote></div></div></div></div>