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Dear Sir:

I am trying to install abinit 7.10.5 on debian 8.2.0 using gfortran 4.9, but encounter some error at the compilation of wannier90 fallback.

The "build-00.ac" file contains

prefix="${HOME}/SIMUcode/abinit-7.10.5"
enable_mpi="yes"
enable_mpi_io="yes"
with_mpi_prefix="/usr"
with_trio_flavor="etsf_io+netcdf"
with_linalg_flavor="acml"
with_linalg_incs="-I/opt/acml5.3.1/gfortran64_int64/include"
with_linalg_libs="-L/opt/acml5.3.1/gfortran64_int64/lib -lacml"
with_dft_flavor="atompaw+bigdft+libxc+wannier90"
enable_fallbacks="yes"
enable_bse_unpacked="yes"
enable_gw_dpc="yes"

./configure --with-config-file="./build-00.ac"

Summary of important options:

* C compiler : gnu version 4.9
* Fortran compiler: gnu version 4.9
* architecture : intel xeon (64 bits)

* debugging : basic
* optimizations : standard

* OpenMP enabled : no (collapse: ignored)
* MPI enabled : yes
* MPI-IO enabled : yes
* GPU enabled : no (flavor: none)

* TRIO flavor = netcdf+etsf_io-fallback
* TIMER flavor = abinit (libs: ignored)
* LINALG flavor = acml (libs: user-defined)
* ALGO flavor = none (libs: ignored)
* FFT flavor = none (libs: ignored)
* MATH flavor = none (libs: ignored)
* DFT flavor = libxc-fallback+atompaw-fallback+bigdft-fallback+wannier90-fallback

Configuration complete.

make multi multi_nprocs=6

The last few lines of output contains the following error messages.

checking whether the C compiler works... yes
checking for C compiler default output file name... a.out
checking for suffix of executables...
checking whether we are cross compiling... configure: error: in `/home/quantum/SIMUcode/abinit-7.10.
5/build/fallbacks/sources/wannier90-1.2.0.1':
configure: error: cannot run C compiled programs.
If you meant to cross compile, use `--host'.
See `config.log' for more details.
Makefile:1063: recipe for target 'stamps/wannier90-config-stamp' failed
make[2]: *** [stamps/wannier90-config-stamp] Error 1
make[2]: Leaving directory '/home/quantum/SIMUcode/abinit-7.10.5/build/fallbacks'
Makefile:657: recipe for target 'all-local' failed
make[1]: [all-local] Error 2 (ignored)
Checking build of wannier90 fallback
test -e stamps/wannier90-install-stamp
Makefile:657: recipe for target 'all-local' failed
make[1]: *** [all-local] Error 1
make[1]: Leaving directory '/home/quantum/SIMUcode/abinit-7.10.5/build/fallbacks'
Makefile:2512: recipe for target 'multi' failed
make: *** [multi] Error 2

The config.log file is attached. Can some please help? Thanks in advance.

Sincerely,
Tsung-Lung Li

Tsung-Lung Li wrote:checking whether we are cross compiling... configure: error: in `/home/quantum/SIMUcode/abinit-7.10.5/build/fallbacks/sources/wannier90-1.2.0.1':
configure: error: cannot run C compiled programs.
If you meant to cross compile, use `--host'.
See `config.log' for more details.

As the error message says, please go to /home/quantum/SIMUcode/abinit-7.10.5/build/fallbacks/sources/wannier90-1.2.0.1/config.log (the one of Wannier90, not that of Abinit) and look for the last occurrence of "failed". It should give you the cause of the error.

Dear Yann:

Thank you very much for your response.

I looked at the config.log in the wannier90 directory, and found "error" around line 83

configure:3358: /usr/bin/mpicc -V >&5
gcc: error: unrecognized command line option '-V'
gcc: fatal error: no input files

I suppose modifying file /home/quantum/SIMUcode/abinit-7.10.5/build/fallbacks/sources/wannier90-2.0.1/configure might fix the problem. However, the file looks formidable to me. Is there any other way for to fix this compilation error?

Please note that the newly attached config.log file is the wannier90 log file.

Sincerely,
Tsung-Lung Li

By adding the following line of search path for acml to my .bashrc file

export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/acml5.3.1/gfortran64_int64/lib

the problem is solved and wannier90 compiles.

Thank Yann for pointing me to the right direction.