I am trying to compile the Yambo code using Intel parallel studio 2018:
1) I have no internet access, so these libs are downloaded and are available in yambo-master/lib/archive:
Code: Select all
blacs.tar.gz
etsf_io-1.0.4.tar.gz
fftqe.tar.gz
fftw-3.3.6-pl1.tar.gz
futile-yambo.tar.gz
hdf5-1.12.0.tar.gz
iotk-y1.2.2.tar.gz
libxc-5.1.5.tar.gz
Makefile.loc
netcdf-c-4.7.4.tar.gz
netcdf-fortran-4.5.3.tar.gz
package.list
petsc-3.14.6.tar.gz
pnetcdf-1.12.1.tar.gz
scalapack-2.1.0.tar.gz
slepc-3.14.2.tar.gz
v3.9.1.tar.gz
Ydriver-0.0.2.tar.gz
Code: Select all
./configure CC=mpiicc FC=mpiifort F77=ifort MPICC=mpiicc --with-scalapack-libs="-L/opt/intel/mkl/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64" --with-blacs-libs="-L/opt/intel/mkl/lib/intel64 -lmkl_blacs_intelmpi_lp64 -lmkl_sequential"
However, the following error is encountered during the compilation:
Code: Select all
if ! test -e package-installed ; then ( if ! test -e /codes/yambo/yambo-master/lib/external/intel/mpiifort; then mkdir /codes/yambo/yambo-master/lib/external/intel/mpiifort ; fi; if ! test -e /codes/yambo/yambo-master/lib/external/intel/mpiifort/lib; then mkdir /codes/yambo/yambo-master/lib/external/intel/mpiifort/lib ; fi; if ! test -e /codes/yambo/yambo-master/lib/external/intel/mpiifort/bin; then mkdir /codes/yambo/yambo-master/lib/external/intel/mpiifort/bin ; fi; if ! test -e /codes/yambo/yambo-master/lib/external/intel/mpiifort/include; then mkdir /codes/yambo/yambo-master/lib/external/intel/mpiifort/include ; fi; cp iotk/src/*.a /codes/yambo/yambo-master/lib/external/intel/mpiifort/lib ; chmod u+x /codes/yambo/yambo-master/lib/external/intel/mpiifort/lib/*iotk*.a; cp iotk/src/*.x /codes/yambo/yambo-master/lib/external/intel/mpiifort/bin ; cp iotk/tools/iotk /codes/yambo/yambo-master/lib/external/intel/mpiifort/bin ; cp iotk/src/*.mod /codes/yambo/yambo-master/lib/external/intel/mpiifort/include ; if test -e /codes/yambo/yambo-master/lib/external/intel/mpiifort/include/iotk_auxmacros.h; then rm -fr /codes/yambo/yambo-master/lib/external/intel/mpiifort/include/iotk_auxmacros.h; fi; cp iotk/include/*.h /codes/yambo/yambo-master/lib/external/intel/mpiifort/include ); fi
touch package-installed
[lib/qe_pseudo] qe_pseudo (checking work to be done)
[lib/qe_pseudo] kind
[lib/qe_pseudo] constants
[lib/qe_pseudo] radial_grids
[lib/qe_pseudo] atom
[lib/qe_pseudo] parameters
[lib/qe_pseudo] qe_auxdata
[lib/qe_pseudo] recvec
[lib/qe_pseudo] becmod
[lib/qe_pseudo] pseudo_types
[lib/qe_pseudo] spin_orb
[lib/qe_pseudo] invmat
[lib/qe_pseudo] uspp
[lib/qe_pseudo] s_psi
[lib/qe_pseudo] us_module
[lib/qe_pseudo] init_us_1
[lib/qe_pseudo] init_us_2
[lib/qe_pseudo] ylmr2
[lib/qe_pseudo] simpsn
[lib/qe_pseudo] upf_to_internal
[lib/qe_pseudo] read_upf_v1
[lib/qe_pseudo] read_upf_v2
[lib/qe_pseudo] upf
[lib/qe_pseudo] read_uspp
[lib/qe_pseudo] read_pseudo
[lib/qe_pseudo] read_ncpp
[lib/qe_pseudo] struct_fact
[lib/qe_pseudo] sph_ind
[lib/qe_pseudo] spinor
[lib/qe_pseudo] sph_bes
[lib/qe_pseudo] qvan2
[lib/qe_pseudo] setqf
[lib/qe_pseudo] matches
[lib/qe_pseudo] erf
[lib/qe_pseudo] allocate_nlpot
[lib/qe_pseudo] init_run
[lib/qe_pseudo] qe_pseudo_module
[lib/qe_pseudo] qe_errore
[lib/qe_pseudo] addusdens
[lib/qe_pseudo] sum_bec
[lib/qe_pseudo] d_matrix
[lib/qe_pseudo] libqe_pseudo.a (lib)
[lib/slatec] slatec (checking work to be done)
[lib/slatec] avint
[lib/slatec] xermsg
[lib/slatec] fdump
[lib/slatec] j4save
[lib/slatec] xercnt
[lib/slatec] xerhlt
[lib/slatec] xerprn
[lib/slatec] xersve
[lib/slatec] i1mach
[lib/slatec] xgetua
[lib/slatec] polfit
[lib/slatec] pcoef
[lib/slatec] pvalue
[lib/slatec] besj0
[lib/slatec] besj1
[lib/slatec] besk0
[lib/slatec] besk1
[lib/slatec] csevl
[lib/slatec] inits
[lib/slatec] r1mach
[lib/slatec] besi0
[lib/slatec] besk0e
[lib/slatec] besi1
[lib/slatec] besk1e
[lib/slatec] besi0e
[lib/slatec] besi1e
[lib/slatec] qage
[lib/slatec] qag
[lib/slatec] qk15
[lib/slatec] qk21
[lib/slatec] qk31
[lib/slatec] qk41
[lib/slatec] qk51
[lib/slatec] qk61
[lib/slatec] qpsrt
[lib/slatec] qawo
[lib/slatec] qawoe
[lib/slatec] qc25f
[lib/slatec] qelg
[lib/slatec] qcheb
[lib/slatec] qwgtf
[lib/slatec] qk15w
[lib/slatec] sgtsl
[lib/slatec] libslatec.a (lib)
[lib/math77] math77 (checking work to be done)
[lib/math77] amach
[lib/math77] erfin
[lib/math77] ermor
[lib/math77] ermsg
[lib/math77] serv1
[lib/math77] cwofz
[lib/math77] libmath77.a (lib)
[lib/local] local (checking work to be done)
[lib/local] dlaran
[lib/local] liblocal.a (lib)
[lib/yambo/driver/src/interface] interface (checking work to be done)
[lib/yambo/driver/src/main] main (checking work to be done)
[lib/yambo/driver/src/options] options (checking work to be done)
make[2]: *** No rule to make target `lib'. Stop.
make[1]: *** [yambo] Error 2
yambo build failed
Serial compilation is also checked:
1) ./configure --with-mp=no
2) make core
Code: Select all
libtool: link: ( cd ".libs" && rm -f "libxc.la" && ln -s "../libxc.la" "libxc.la" )
/bin/sh ../libtool --tag=CC --mode=link mpiicc -O2 -D_C_US -D_FORTRAN_US -o xc-info xc-info.o libxc.la -lm
libtool: link: mpiicc -O2 -D_C_US -D_FORTRAN_US -o xc-info xc-info.o ./.libs/libxc.a -lm
mpiicc -DHAVE_CONFIG_H -I. -I.. -O2 -D_C_US -D_FORTRAN_US -MT xc-threshold.o -MD -MP -MF .deps/xc-threshold.Tpo -c -o xc-threshold.o xc-threshold.c
xc-threshold.c(808): error: expected an expression
for (int i = 0; i < (int) (sizeof(xc_values_type) / sizeof(double)); i++)
^
xc-threshold.c(808): error: identifier "i" is undefined
for (int i = 0; i < (int) (sizeof(xc_values_type) / sizeof(double)); i++)
^
compilation aborted for xc-threshold.c (code 2)
make[9]: *** [xc-threshold.o] Error 2
make[8]: *** [all-recursive] Error 1
make[7]: *** [all] Error 2
make[6]: *** [all-recursive] Error 1
make[5]: *** [all] Error 2
make[4]: *** [package-ready-stamp] Error 2
make[3]: *** [libxc] Error 2
[lib/qe_pseudo] qe_pseudo (checking work to be done)
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] kind
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] constants
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] radial_grids
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] atom
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] parameters
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] qe_auxdata
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] recvec
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] becmod
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] pseudo_types
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] spin_orb
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] invmat
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] uspp
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] s_psi
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] us_module
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] init_us_1
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] init_us_2
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] ylmr2
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] simpsn
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] upf_to_internal
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] read_upf_v1
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] read_upf_v2
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] upf
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] read_uspp
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] read_pseudo
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] read_ncpp
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] struct_fact
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] sph_ind
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] spinor
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] sph_bes
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] qvan2
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] setqf
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] matches
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] erf
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] allocate_nlpot
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] init_run
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] qe_pseudo_module
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] qe_errore
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] addusdens
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] sum_bec
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
Warning: Nonexistent include directory "/codes/yambo/yambo-master/lib/yambo/driver/include"
[lib/qe_pseudo] d_matrix
[lib/qe_pseudo] libqe_pseudo.a (lib)
[lib/slatec] slatec (checking work to be done)
[lib/slatec] avint
[lib/slatec] xermsg
[lib/slatec] fdump
[lib/slatec] j4save
[lib/slatec] xercnt
[lib/slatec] xerhlt
[lib/slatec] xerprn
[lib/slatec] xersve
[lib/slatec] i1mach
[lib/slatec] xgetua
[lib/slatec] polfit
[lib/slatec] pcoef
[lib/slatec] pvalue
[lib/slatec] besj0
[lib/slatec] besj1
[lib/slatec] besk0
[lib/slatec] besk1
[lib/slatec] csevl
[lib/slatec] inits
[lib/slatec] r1mach
[lib/slatec] besi0
[lib/slatec] besk0e
[lib/slatec] besi1
[lib/slatec] besk1e
[lib/slatec] besi0e
[lib/slatec] besi1e
[lib/slatec] qage
[lib/slatec] qag
[lib/slatec] qk15
[lib/slatec] qk21
[lib/slatec] qk31
[lib/slatec] qk41
[lib/slatec] qk51
[lib/slatec] qk61
[lib/slatec] qpsrt
[lib/slatec] qawo
[lib/slatec] qawoe
[lib/slatec] qc25f
[lib/slatec] qelg
[lib/slatec] qcheb
[lib/slatec] qwgtf
[lib/slatec] qk15w
[lib/slatec] sgtsl
[lib/slatec] libslatec.a (lib)
[lib/math77] math77 (checking work to be done)
[lib/math77] amach
[lib/math77] erfin
[lib/math77] ermor
[lib/math77] ermsg
[lib/math77] serv1
[lib/math77] cwofz
[lib/math77] libmath77.a (lib)
[lib/local] local (checking work to be done)
[lib/local] dlaran
[lib/local] liblocal.a (lib)
[lib/yambo/driver/src/interface] interface (checking work to be done)
[lib/yambo/driver/src/main] main (checking work to be done)
[lib/yambo/driver/src/options] options (checking work to be done)
make[2]: *** No rule to make target `lib'. Stop.
make[1]: *** [yambo] Error 2
yambo build failed
Best,
Mohammad Moaddeli
Shiraz University