ABINIT Discussion Forums

hi all, i am trying to calculat the phonon dispersion of GeSe system, i used 2x4x4 grıd to get qpt poınts then abınıt gave 20 qpt poınts . ı prepared ınput fıles as follows but whıle trying to merge DDB fıles wıth trf2_3.in file below message appeared . compare the current and input DDB information ...

thx Jordan but it didnt work, still same error appears...

hi all, i am trying to calculate the partial DOS of the GaAs in parallel with mpirun. total dos, bandstructure.phonon calculations were succesfully run in parallel with 16 cores but partial dos crahes with the error below The job will continue. application called MPI_Abort(MPI_COMM_WORLD, 13) - proc...

thx for help after too many different combinations of compilers and versions of abinit i succeded to buil abinit without error and can compile it parallel initially i changed mpich2 version to mpich2-1.4.1p1 and reinstall all of the intel compilers and mpich2 then configured abinit with above build ...

hi Pouillon ! ============================================================================== === Multicore architecture startup === ============================================================================== configure: Initializing MPI support configure: looking for MPI in /opt/mpich2/intel check...

mpich2 version is 3.0.4 intel version is l_ccompxe_intel64_2013.0.079 i will tried your way but nothing changed still it gives same error -----------------------------------------------^ applypot.F90(431): error #6478: A type-name must not be used as a variable. [MPI_COMM] MPI_double_precision,mpi_c...

hii...... I began to build abinit from the beginning and to do that re-installed all intel fortran and C compilaer then mpich2 into /opt directory and all paths are defined as follows in .bashrc file # Intel Compilers source /opt/intel/composer_xe_2013.0.079/bin/compilervars.sh intel64 source /opt/i...

hi again, iused the build.ac file as below: enable_mpi="yes" enable_mpi_io="yes" with_mpi_prefix="/opt/mpich2/intel" #with_trio_flavor="netcdf+etsf_io+fox" with_trio_flavor="none" #with_netcdf_incs="-I/usr/include" #with_netcdf_libs="-...

dear all, I am trying to install abinit 7.2.2 on opensuse 12.3 system. first i installed intel C and fortran compilers then mpich to /opt file. then added related paths to .bashrc then i confıgured the abinit "ac " file as here and coppied it to ~/.abinit/build file and coppied all fallbac...