Upgrade to Abinit-7.10.4 (MPI error)

Janpreet Sidhu · Post by **Janpreet Sidhu** » Sun Apr 19, 2015 8:31 pm

Hello
i had compiled abinit-7.0.5 two year ago successfully on cluster (MPI version, prepared for a x86_64_linux_intel13.1 computer). Now i need to upgrade to Abinit-7.10.4. But during installation ,following same steps as previous, getting MPI error.

.ac file contains:

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prefix="/home/gurinder/abinit_8"
enable_mpi="yes"
with_mpi_level="1"
enable_mpi_io="yes"
with_mpi_prefix="/home/gurinder/mpich"
with_fft_flavor="fftw3"
with_fft_incs="-I/home/gurinder/lib/fftw/include/"
with_fft_libs="-L/home/gurinder/lib/fftw/lib -lfftw3"
with_linalg_flavor="atlas"
with_linalg_libs="-L/usr/lib/atlas-sse -llapack -lf77blas -lcblas -latlas"
with_dft_flavor="atompaw+bigdft+libxc+wannier90"
enable_gw_dpc="yes"
FCFLAGS="-O1"
FCFLAGS_OPTIM="-O2"

i am using command to configure.

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./configure --with-config-file="janpreet.ac" FC=mpif90 CC=mpicc

getting the error:

==============================================================================
=== Multicore architecture support ===
==============================================================================

checking whether to enable OpenMP support... no
checking whether to build MPI code... yes
checking whether the C compiler supports MPI... no
checking whether the C++ compiler supports MPI... no
checking whether the Fortran Compiler supports MPI... yes
checking whether MPI is usable... no
configure: error: MPI support is broken - please fix your config parameters and/or MPI installation

config.log file has been attached.

help!!!

Janpreet Sidhu

Jordan · Post by **Jordan** » Mon Apr 20, 2015 11:36 am

Please read your config.log and look for the error.

You will notice

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conftest.cpp:1: error: bad value (native) for -march= switch
conftest.cpp:1: error: bad value (native) for -mtune= switch

Please check your FCFLAGS and CFLAGS variables with

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echo $FCFLAGS

If the -march and -mtune are defined, they are wrong.
Before running the configure script,
Reset those variable to something acceptable or nothing with

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export FCFLAGS="something here or nothing"

Cheers

Jordan

Post by **pouillon** » Thu Apr 30, 2015 9:12 am

This error happens because you use a very old and unsupported version of GCC. Your version is 4.1, while the most recent one is 4.9. Just upgrade your compiler and you'll be able to build Abinit.

Janpreet Sidhu · Post by **Janpreet Sidhu** » Thu Jun 04, 2015 2:54 pm

Thanks for replies.
No upgrade to GCC compilers on cluster ( requested to administrator).

I tried again and compiled succesfully using .ac file given below:

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prefix="/home/gurinder/abinit_8"
enable_mpi="yes"
enable_mpi_io="yes"
with_mpi_prefix="/home/gurinder/mpich-install"
FCFLAGS="-O1"
CFLAGS="-O1"

But when i run the job got error:

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---SELF-CONSISTENT-FIELD CONVERGENCE--------------------------------------------

 getcut: wavevector=  0.0000  0.0000  0.0000  ngfft= 160 160 144
         ecut(hartree)=     45.000   => boxcut(ratio)=   2.10286

 ITER STEP NUMBER     1
 vtorho : nnsclo_now=  2, note that nnsclo,dbl_nnsclo,istep=  0 0  1
forrtl: severe (174): SIGSEGV, segmentation fault occurred

Please help. The config.log file has been attached.

Janpreet

Jordan · Post by **Jordan** » Fri Jun 05, 2015 10:25 am

Hi,

This is a very common problem that many people face.
Could you try to use an other linear algebra library ? use the with_linalg_flavor="" to specifies one, and with_linalg_incs + with_linalg_libs variables for more specifications (see config example files in abinit tarball)
You can try mkl or atlas.

You could also provide us the details of the computer you use : cpus, OS, compiler, ...

Cheers

Janpreet Sidhu · Post by **Janpreet Sidhu** » Sat Jun 06, 2015 7:24 am

Thanks Jordan
using atlas problem get solved.

Janpreet

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Upgrade to Abinit-7.10.4 (MPI error) [SOLVED]

Upgrade to Abinit-7.10.4 (MPI error)

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