ABINIT Discussion Forums

Posted: **Wed Feb 04, 2015 3:33 pm**

Dear All,

I am trying to configure the most recent version of Abinit on the University's cluster but in vain. I tried first setting simply:

./configure --enable-mpi=yes

I got an error related to the old version of GCC (4.1) which I have no control over since I am not a superuser. so I tried using another compiler such as ifort. I know we have ifort and mpiifort installed on our cluster since I used to run the Quantum Espresso code in parallel; however I cannot seem to set the variable correctly for abinit. I executed

./configure FC=ifort --enable-mpi=yes --with-mpi-prefix=/opt/intel/impi/4.0.0028/bin
and i tried other combinations as well but I get the error:

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

It seems I cannot set my MPI varaibales or do not knnow where intel compilers are. before compiling abinit I tried to execute:
source /opt/intel/impi/4.0.0.028/intel64/bin/mpivars.sh
export I_MPI_FABRICS=shm:dapl
source /opt/intel/Compiler/11.1/069/bin/iccvars.sh intel64
source /opt/intel/Compiler/11.1/069/bin/ifortvars.sh intel64

but in vain (maybe did not do it correctly??). Please can anyone help me in this. the config file is attached

Posted: **Sat Feb 14, 2015 10:11 pm**

Hi

can you try with this build.ac file :

Code: Select all

CC = mpiicc
CXX = mpicxx
FC = mpiifort
enable_mpi = yes
enable_mpi_io = yes
with_mpi_incs = -I/opt/intel/impi/4.0.0028/include64
with_mpi_libs = -L/opt/intel/impi/4.0.0028/lib64 -lmpi
with_dft_flavor = none
with_trio_flavor = netcdf+etsf_io
with_fft_flavor = fftw3
with_fft_libs = -L/opt/intel/mkl/lib/intel64 -Wl,--start-group  -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group -lpthread -lm
with_linalg_flavor = mkl
with_linalg_libs = -L/opt/intel/mkl/lib/intel64 -Wl,--start-group  -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group -lpthread -lm
enable_64bit_flags = yes
enable_gw_dpc = yes
status = certified

and use the command :

Code: Select all

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

jmb

ABINIT Discussion Forums

Abinit-7.10.2 configuration error

Abinit-7.10.2 configuration error

Re: Abinit-7.10.2 configuration error