ABINIT Discussion Forums

I run abinit to calculate energies for magnetic compound of Fe4N. The real Magnetization value should be around 8[bohr magneton] in relaxed structure, but abinit calculates different values for "Magnetization" with the same input file: sometimes around 8 and sometimes very near to 0. Need ...

As a Fortran program, Abinit doesn't accept command-line arguments (I know it's possible, but it's not so well and widely supported by the compilers). You can however wrap it within a run_abinit.sh shell script that accepts command-line arguments. Here is an example: #!/bin/sh # # To run abinit, ty...

Hi,

I have the same problem, however I couldn't find solution reading the page.
Can you please help me with a straight forward command.

I have also attached my config.log file

Hi Is there any command to run abinit in a smp machine with several cores without parallel configuration? yes, you can use OpenMP this is a example of .ac file with gfortran 4.6 : enable_mpi = no enable_mpi_io = no with_dft_flavor = none FC_LDFLAGS_EXTRA = -fopenmp FCFLAGS_EXTRA = -fopenmp enable_o...

Is there any command to run abinit in a smp machine with several cores without parallel configuration?

pouillon wrote:E.g.:

Code: Select all

../configure [your options] FPP=/usr/bin/cpp

Thanks

pouillon wrote:Try setting FPP to a standard C preprocessor (best one: GNU cpp) when configuring Abinit.

How it should be done?

Hi, I have also this problem with the error : libtool.m4: error: problem compiling FC test program checking for gfortran option to produce PIC... checking if gfortran static flag works... no checking if gfortran supports -c -o file.o... no checking if gfortran supports -c -o file.o... (cached) no ch...