Installing abinit parallel on centOS 5.6

option, parallelism,...

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Please have a look at ~abinit/doc/config/build-config.ac in the source package for detailed and up-to-date information about the configuration of Abinit 8 builds.
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lamsalc
Posts: 15
Joined: Thu Aug 18, 2011 10:08 pm

Installing abinit parallel on centOS 5.6

Post by lamsalc » Tue Apr 10, 2012 7:23 pm

Hi everyone,
I got the following error message after I ran "make multi multi_nprocs=8". However ./configure went well. I would be grateful for suggesting what the following error message indicates:
checking for linker flag to name executables... configure: error: Could not determine flag to name executables
See `config.log' for more details.

_______________________________________________________________________________

cd fallbacks && make
make[1]: Entering directory `/tmp/abinit-6.12.2/fallbacks'
make fox
make[2]: Entering directory `/tmp/abinit-6.12.2/fallbacks'
cd sources/FoX-4.1.2 && \
CPP="gcc -E" \
CPPFLAGS=" -I/tmp/abinit-6.12.2/fallbacks/exports/include" \
CC="gcc" \
CFLAGS="-g -O2" \
CXX="g++" \
CXXFLAGS="" \
FCCPP="cpp -P -std=c99" \
F77="gfortran" \
FFLAGS="-ffixed-form -g -O2 -mtune=native -march=native -mfpmath=sse -g -O2 -I/tmp/abinit-6.12.2/fallbacks/exports/include" \
F90="gfortran" \
F90FLAGS="-ffree-form -g -O2 -mtune=native -march=native -mfpmath=sse -g -O2 -I/tmp/abinit-6.12.2/fallbacks/exports/include" \
FC="gfortran" \
FCFLAGS="-ffree-form -g -O2 -mtune=native -march=native -mfpmath=sse -g -O2 -I/tmp/abinit-6.12.2/fallbacks/exports/include" \
LDFLAGS=" " \
LIBS="" \
AR="ar" \
ARFLAGS="rc" \
RANLIB="ranlib" \
/bin/sh ./configure \
--prefix="/tmp/abinit-6.12.2/fallbacks/exports" \
--program-suffix="-abinit" \
--enable-sax
checking build system type... x86_64-unknown-linux-gnu
checking host system type... x86_64-unknown-linux-gnu
checking for linker flag to name executables... configure: error: Could not determine flag to name executables
See `config.log' for more details.

make[2]: *** [stamps/fox-config-stamp] Error 1
make[2]: Leaving directory `/tmp/abinit-6.12.2/fallbacks'
make[1]: [all-local] Error 2 (ignored)
Checking build of fox fallback
test -e stamps/fox-install-stamp
make[1]: *** [all-local] Error 1
make[1]: Leaving directory `/tmp/abinit-6.12.2/fallbacks'
make: *** [multi] Error 2

Thank you!

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jbeuken
Posts: 365
Joined: Tue Aug 18, 2009 9:24 pm
Contact:

Re: Installing abinit parallel on centOS 5.6

Post by jbeuken » Tue Apr 10, 2012 9:28 pm

Hi,

not enough infos !

- your configure command and the config.log
- result of command

Code: Select all

which gfortran


jmb
------
Jean-Michel Beuken
Computer Scientist

lamsalc
Posts: 15
Joined: Thu Aug 18, 2011 10:08 pm

Re: Installing abinit parallel on centOS 5.6

Post by lamsalc » Tue Apr 10, 2012 11:12 pm

Dear jmb,
1) I configured with command "./configure --with-config-file=./build.ac"
where build.ac is:
_____________________________________________________________________________
enable_exports="yes"
enable_pkg_check="yes"
enable_gw_dpc="yes"
enable_mpi="yes"
enable_mpi_io="yes"
with_mpi_prefix="/usr/lib64/openmpi"
with_trio_flavor="netcdf+etsf_io+fox"
with_dft_flavor="atompaw+bigdft+libxc+wannier90"
with_linalg_flavor="atlas"
with_linalg_libs="-L/usr/lib64/atlas -llapack -lf77blas -lcblas -latlas"
with_fft_flavor="fftw3"
with_fft_incs="-I/usr/include"
with_fft_libs="-L/usr/lib64 -lfftw3"
with_netcdf_incs="-I/usr/lib64/gfortran/modules"
with_netcdf_libs="-L/usr/lib64 -lnetcdf -lnetcdff"
with_libxc_incs="-I/usr/include -I/usr/lib64/gfortran/modules"
with_libxc_libs="-L/usr/lib64 -lxc"
__________________________________________________________
2) RESULT OF COMMAND:
Summary of important options:

* C compiler : gnu version 4.1
* Fortran compiler: gnu version 4.1
* architecture : intel xeon (64 bits)

* debugging : basic
* optimizations : standard

* MPI enabled : yes
* MPI-IO enabled : yes
* GPU enabled : no (none)

* TRIO flavor = netcdf+etsf_io-fallback+fox-fallback
* TIMER flavor = abinit (libs: ignored)
* LINALG flavor = atlas (libs: user-defined)
* ALGO flavor = none (libs: ignored)
* FFT flavor = fftw3 (libs: user-defined)
* MATH flavor = none (libs: ignored)
* DFT flavor = libxc+atompaw-fallback+bigdft-fallback+wannier90-fallback

Configuration complete.

3) config.log file is too long. If you want I can send it also.
Thank you very much!

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jbeuken
Posts: 365
Joined: Tue Aug 18, 2009 9:24 pm
Contact:

Re: Installing abinit parallel on centOS 5.6

Post by jbeuken » Wed Apr 11, 2012 7:45 pm

Hello

* C compiler : gnu version 4.1
* Fortran compiler: gnu version 4.1


this version is very very very old and never supported :roll:

the last supported version is gcc 4.3.x

with this old OS version, it's possible to install gcc 4.4

Code: Select all

yum install gcc44-gfortran.x86_64


good luck

jmb
------
Jean-Michel Beuken
Computer Scientist

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